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Автор: Grafiati
Опубліковано: 7 вересня 2023

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Статті в журналах з теми "Quantum States - Diatomic Molecules"

1

Al-Othman, A. B., and A. S. Sandouqa. "Comparison study of bound states for diatomic molecules using Kratzer, Morse, and modified Morse potentials." Physica Scripta 97, no. 3 (February 15, 2022): 035401. http://dx.doi.org/10.1088/1402-4896/ac514c.

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Abstract In this paper, the bound-state energy eigenvalues for several diatomic molecules (O2, I2, N2, H2, CO, NO, LiH, HCl) are computed for various quantum numbers using the shifted 1/N expansion method with the Kratzer, Morse and Modified Morse potentials. Numerical results of the energy eigenvalues for the selected diatomic molecules are discussed. Our results for energy eigenvalues agree perfectly with the results obtained in the literature. A comparative study is performed for four diatomic molecules (H2, N2, CO and HCl) in their ground states using the three potentials.
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2

Okorie, U. S., A. N. Ikot, M. U. Ibezim-Ezeani, and Hewa Y. Abdullah. "Diatomic molecules energy spectra for the generalized Mobius square potential model." International Journal of Modern Physics B 34, no. 21 (August 20, 2020): 2050209. http://dx.doi.org/10.1142/s0217979220502094.

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The modified version of the generalized Mobius square (GMS) potential has been obtained by employing the dissociation energy and equilibrium bond length as explicit parameters. The potential parameters have been defined in terms of the molecular parameters. The modified GMS potential has also been used to model internuclear interaction potential curves for different states of diatomic molecules. Also, we have obtained the rotational–vibrational energy spectra of the new GMS potential model, both analytically and numerically for the different diatomic molecules. This was done by employing a Pekeris-type approximation scheme and an appropriate coordinate transformation to solve the Schrodinger equation. Our results have been compared with the experimental Rydberg–Klein–Rees (RKR) data and its corresponding average absolute deviations in terms of the dissociation energy computed. The effects of the vibrational and rotational quantum numbers on the rotational–vibrational energies for the different states of the various diatomic molecules have also been discussed. This paper has shown to be highly relevant to the studies of thermodynamic and thermochemical functions of diatomic molecules.
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3

Molski, Marcin, and Jerzy Konarski. "Modified Dunham potential for rovibrational diatomic systems." Canadian Journal of Physics 73, no. 1-2 (January 1, 1995): 59–62. http://dx.doi.org/10.1139/p95-010.

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A modified Dunham potential with parameters depending on the rotational quantum number is employed to describe the rovibrational states of diatomic molecules. This approach, applied to H81Br, 115InD, 7LiH, and 40Ar2, gives satisfactory reproduction of the observed transitions using fewer Dunham parameters than in the standard method. The results obtained indicate the possibility of introducing the local internal potentials, which, in contradiction to the global ones usually used, depend on the rotational states of a rotating–vibrating molecule. Such a J dependence may be a result of rovibronic interactions, in particular, Coriolis-type nonadiabatic interactions coupling other electronic states through the rotational angular momentum.
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4

Tang, Nai Yun. "Bonding-Antibonding Ground States Transition in Coupled Quantum Dots." Applied Mechanics and Materials 220-223 (November 2012): 2017–21. http://dx.doi.org/10.4028/www.scientific.net/amm.220-223.2017.

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The two lowest single-particle hole states in two vertically coupled quntum dots (CQDs) are investigated by using the six-band k • p model. A bonding–antibonding ground-state transition is observed with an increasing interdot distance. This result is counterintuitive since the antibonding molecular ground state is never observed in natural diatomic molecules. By comparing the wavafunction component of hole, the results verify that the reordering of bonding and antibonding orbitals with an increasing interdot distance is caused by spin–orbit interaction of holes.
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5

Beuc, Robert, Mladen Movre, and Goran Pichler. "High Temperature Optical Spectra of Diatomic Molecules at Local Thermodynamic Equilibrium." Atoms 6, no. 4 (November 30, 2018): 67. http://dx.doi.org/10.3390/atoms6040067.

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In the paper, several theoretical approaches to the determination of the reduced absorption and emission coefficients under local thermodynamic equilibrium conditions were exposed and discussed. The full quantum-mechanical procedure based on the Fourier grid Hamiltonian method was numerically robust but time consuming. In that method, all transitions between the bound, free, and quasi-bound states were treated as bound–bound transitions. The semi-classical method assumed continuous energies of ro-vibrational states, so it did not give the ro-vibrational structure of the molecular bands. That approach neglected the effects of turning points but agreed with the averaged-out quantum-mechanical spectra and it was computer time efficient. In the semi-quantum approximation, summing over the rotational quantum number J was done analytically using the classical Franck–Condon principle and the stationary–phase approximation and its consumption of computer time was lower by a few orders of magnitude than the case of the full quantum-mechanical approach. The approximation described well the vibrational but not the rotational structure of the molecular bands. All the above methods were compared and discussed in the case of a visible and near infrared spectrum of LiHe, Li2, and Cs2 molecules in the high temperature range.
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6

Kvasikova, A. S., V. F. Mansarliysky, A. A. Kuznetsova, Yu V. Dubrovskaya, and E. L. Ponomarenko. "NEW QUANTUM APPROACH TO DETERMINATION OF THE MOLECULAR SPECTRAL CONSTANTS AND PROBABILITIES FOR COOPERATIVE VIBRATIONROTATION-NUCLEAR TRANSITIONS IN SPECTRA OF DIATOMICS AND THE HADRONIC MOLECULES." Photoelectronics, no. 25 (December 26, 2016): 141–48. http://dx.doi.org/10.18524/0235-2435.2016.25.157668.

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It is proposed a new approach to construction of the potential function of diatomic molecules as a sum of the known perturbed Morse oscillator function, the Simons-Parr-Finlan molecular potential in the middle of the potential curve, function of the -Cn/Rn type at the large internuclear distances. Within this approach it is presented a precise scheme for computing the molecular spectral parameters, namely, vibrational, rotational, centrifugal constants for the electronic states of diatomics. As application it was carried out calculation of the of molecular constants (cm-1) for the X1Σ+ B1Π states of the KRb dimer and rubidium dimer and performed further comparison with experimental data. Within consistent approach to calculation of the electron-nuclear γ transition spectra (set of vibrationrotational satellites in molecule) of molecule there are obtained the estimates for vibration-rotationnuclear transition probabilities in a case of the emission and absorption spectrum of nucleus 127I(E(0)g = 203 keV) in the molecule of H127I for different approximations of the for potential curves: the hadmonic oscillator, the Dunham model and presented approach.
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7

Hollerith, Simon, Johannes Zeiher, Jun Rui, Antonio Rubio-Abadal, Valentin Walther, Thomas Pohl, Dan M. Stamper-Kurn, Immanuel Bloch, and Christian Gross. "Quantum gas microscopy of Rydberg macrodimers." Science 364, no. 6441 (May 16, 2019): 664–67. http://dx.doi.org/10.1126/science.aaw4150.

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The subnanoscale size of typical diatomic molecules hinders direct optical access to their constituents. Rydberg macrodimers—bound states of two highly excited Rydberg atoms—feature interatomic distances easily exceeding optical wavelengths. We report the direct microscopic observation and detailed characterization of such molecules in a gas of ultracold rubidium atoms in an optical lattice. The bond length of about 0.7 micrometers, comparable to the size of small bacteria, matches the diagonal distance of the lattice. By exciting pairs in the initial two-dimensional atom array, we resolved more than 50 vibrational resonances. Using our spatially resolved detection, we observed the macrodimers by correlated atom loss and demonstrated control of the molecular alignment by the choice of the vibrational state. Our results allow for rigorous testing of Rydberg interaction potentials and highlight the potential of quantum gas microscopy for molecular physics.
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8

Wolniewicz, L., and J. D. Poll. "On the vibration–rotational energy levels of the hydrogen molecular ion HD+." Canadian Journal of Physics 63, no. 9 (September 1, 1985): 1201–4. http://dx.doi.org/10.1139/p85-196.

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A new method for calculating vibration–rotational energies of diatomic molecules is discussed and applied to the case of HD+. This method is designed to obtain accurate results for all vibrational states including those close to the dissociation limit. Nonadiabatic, relativistic, and radiative effects are taken into account for all the bound vibrational states with rotational quantum numbers J ≤ 5; the estimated accuracy is of the order of 0.001 cm−1.
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9

McCaffery, Anthony J. "Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 376, no. 2115 (February 5, 2018): 20170150. http://dx.doi.org/10.1098/rsta.2017.0150.

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This study of near-resonant, vibration–vibration (V–V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117 , 503 ( doi:10.1063/1.1489998 )) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V–V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N 2 in H 2 , O 2 and N 2 initially in their ground states. This article is part of the theme issue ‘Modern theoretical chemistry’.
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10

Alekseev V. A. "Ab Initio Study of the Interaction Potentials of CF-=SUB=-4-=/SUB=-, CH-=SUB=-4-=/SUB=-, SiF-=SUB=-4-=/SUB=- and SiH-=SUB=-4-=/SUB=- Molecules with the Rb Atom in the Ground and Electronically Excited States." Optics and Spectroscopy 130, no. 9 (2022): 1085. http://dx.doi.org/10.21883/eos.2022.09.54823.3458-22.

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The potentials of the electronic states of RbXY4 molecules, XY4 = CF4, CH4, SiF4 and SiH4, correlating with the ground 5s 2S1/2 and excited 5p ^2P1/2,3/2 states of the Rb atom are studied using the methods of ab initio quantum chemistry. The calculations are performed by the SCF method of the full active space of orbitals, taking into account dynamic electronic correlations and spin-orbital interaction. It is established that the character of the interaction in the A and A' states, correlating respectively with the lower and upper states of the Rb (5p ^2P1/2,3/2) doublet and corresponding to the perpendicular orientation of the Rb p-orbital relative to the Rb-X axis, differ significantly (attraction or repulsion) for different XY4 molecules, which is explained by the difference in the charge distribution in the XY4 molecules. In order to evaluate the accuracy of the calculation results for RbXY4 molecules, similar calculations are performed for the diatomic RbAr molecule using different basis sets. It is found that, as compared with the A and A' states, the potential of the repulsive B state, which correlates with the upper state of the doublet and corresponds to the orientation of the Rb p-orbital along the Rb-X axis, is significantly more sensitive to the size of the basis set which is due to the accuracy of accounting for the configuration interaction with states that correlate with the Rb (6s ^2S1/2) and Rb (4d ^2D3/2,5/2) states and other states of the Rb atom lying above Rb (5p ^2P1/2,3/2). Keywords: alkali metals, excited states, carbon tetrafluoride, quantum chemistry, ab initio calculations.
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Дисертації з теми "Quantum States - Diatomic Molecules"

1

Murphy, D. S. "Quantum state engineering with diatomic molecules and ultracold trapped atoms." Thesis, Queen's University Belfast, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.492521.

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Through continual advancement in laser pulse technology. experimentalists now have al their disposal higher intensities (> 1015 W cm!) and shon.er pulse durations « 10 fs) than ever before. Using sllch technology it is possible to probe and manipulate the electronic and nuclear Illotions in even the smallest fastest-moving diatomic molecules. The first pan. of this thesis presents a simplified theoretical model that allows one to adequately treat the nuclear vibrational and photodissociation dynamics of the O2 ' molecular ion, when subjected to typical infrared wavelengths. Direct comparison between the predictions of this theoretical model and recent experimental observations is provided. The same model is then used as a basis for the proposal of a number of novel techniques that utilize ultrashort laser pulses to l;:ontrol both the dissociation pathway and the population ofthe bound vibrational levels. One of the main areas of theoretical and experimental advancement in recent decades has been the area of cold atom trapping and manipulation. The second part of this thesis considers the theoretical treatment of two interacting particles, confined in various one-dimensioDal potentials. These systems represent a fundamental building block that has been made accessible through recent developments in the field of ultracold atomic physics: The numerical scheme for the treatment of the two-particle system is described and results are presented for two-paJ1icles in a harmonic trap, a o-split harmonic trap. and a double-well potential. Propel1ies of the two-particle ground state and low-energy excited states are examined including the energy spectra, eigenfunctions, reduced single-particle density matrices, momentum distributions and entanglement. ]n particular, focussing upon how these quantities depend upon the two parameters, particle-particle interaction strength and barrier height. In this way, the present work relates to the scope of quantum state control, in such systems, through variation of 'experimentally accessible' control parameters.
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2

Arnold, Steven James. "Quantum beat spectroscopy of transient diatomic molecules." Thesis, Queen Mary, University of London, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.341953.

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3

Krüger, Bastian Christopher. "From diatomic to polyatomic quantum-state-resolved molecule-surface scattering." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2017. http://hdl.handle.net/11858/00-1735-0000-0023-3F1E-7.

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4

Reis, Firmino Thiago Diamond. "The quantum dynamics of the diffusion of dissociatively adsorbed diatomic molecules." Phd thesis, Université de Strasbourg, 2014. http://tel.archives-ouvertes.fr/tel-01070646.

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The work carried out during this thesis focuses on the quantum dynamics of the diffusion of hydrogen atoms on a surface of palladium (111). The study of the 3D system allowed us to detail the infrared spectrum of H/Pd (111), showing the existence of different adsorption sites on which localized states exist that are strongly coupled (Fermi resonance). This phenomenon governs the diffusion of hydrogen atoms in an ultra-fast time scale (fs).The study of the (6D) H2/Pd(111) system has shown that the transitions observed are in fact transition bands between several quasi-degenerate adsorption states. The agreement between the calculated and measured values is significantly less good than that between the data calculated for the 3D system and the measured data. Does adsorbed hydrogen on palladium exist in the form of a weakly bound H2 molecule? This thesis has provided some answers to this question, which remains open, hovewer, to some extent.
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5

Sjödin, Marica. "Resonant multi-photon ionisation studies of high-energy states in diatomic molecules /." Stockholm, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-356.

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6

Zhang, Bo. "Experimental Studies of Quantum Dynamics and Coherent Control in Homonuclear Alkali Diatomic Molecules." Doctoral thesis, KTH, Physics, 2002. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3420.

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The main theme covered in this thesis is experimentalstudies of quantum dynamics and coherent control in homonuclearalkali diatomic molecules by ultrafast laser spectroscopy iththe implementation of pump-probe techniques.

A series of experiments have been performed on the Rb2molecules in a molecular beam as well as in a thermal oven. Thereal-time molecular quantum dynamics of the predissociatingelectronically excited D(3)1Πu state of Rb2, which couples to/intersects several otherneighbouring states, is investigated using wavepackets. Thepredissociation of the D state, explored by this wavepacketmethod, arises from two independent states, the (4)3Σu+and (1)3∆u, for which the second corresponds to a much fasterdecay channel above a sharp energy threshold around 430 nm. Thelifetime of the D state above the energy threshold is obtained,τ ≈ 5 ps, by measuring the decay time of thewavepacket in a thermal oven. Further experimentalinvestigation performed in a molecular beam together withquantum calculations of wavepacket dynamics on the D state haveexplored new probe channels of wavepacket evolution: theD′(3)1Σu+ channel, which exhibits vibrational motionin a shelf state and the (4)3Σu+ channel, where direct build-up of thewavefunction is observed due to its spin-orbit oupling to the Dstate.

The real-time quantum dynamics of wavepackets confined totwo bound states, A1Σu+(0u+) and b3Πu(0u+), have been studied by experiment andcalculations. It is shown that these two states are fullycoupled by spin-orbit interaction, characterised by itsintermediate strength. The intermediate character of thedynamics is established by complicated wavepacket oscillationatterns and a value of 75 cm-1is estimated for the coupling strength at thestate crossing.

The experiments on the Li2molecule are performed by coherent control ofrovibrational molecular wavepackets. First, the Deutsch-Jozsaalgorithm is experimentally demonstrated for three-qubitfunctions using a pure coherent superposition of Li2rovibrational eigenstates. The function’scharacter, either constant or balanced, is evaluated by firstimprinting the function, using a phase-tailored femtosecond(fs) pulse, on a coherent superposition of the molecularstates, and then projecting the superposition onto an ionicfinal state using a second fs pulse at a specific delay time.Furthermore, an amplitude-tailored fs pulse is used to exciteselected rovibrational eigenstates and collision induceddephasing of the wavepacket signal, due to Li2-Ar collisions, is studied experimentally. Theintensities of quantum beats decaying with the delay time aremeasured under various pressures and the collisional crosssections are calculated for each well-defined rovibrationalquantum beat, which set the upper limitsfor ure dephasingcross sections.

Keywords:Ultrafast laser spectroscopy, pump-probetechnique, predissociation, wavepacket, pin-orbit interaction,coherent control, (pure) dephasing

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7

Al-Tuwirqi, L. M. A. "Modelling of quantum properties and spectra of diatomic molecules proped by laser radiation." Thesis, Swansea University, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.635736.

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In this work an attempt has been made to develop a computer program package that can be used to simulate/model spectra and other properties of the majority of diatomic molecules. Specifically, the program package aims at: (i) providing a general tool for the interpretation of experimental spectra and for pointing out any perturbation that may exist in them; and (ii) to help researchers in setting up their experiment and know in advance optimum conditions to perform it. The program package under development at present includes the following features: 1. Generation of molecular potentials; 2. Calculation of Frank-Condon factors and transition probabilities; 3. Simulation of spectra in adsorption, emission, laser-induced fluorescence and resonance ionisation; 4. The inclusion of thermal and non-thermal level population distribution; 5. In case of perturbations, the ability to read the energies of the levels as input parameters, rather than calculating them for inadequate formulas based on standard spectroscopic constants. The program package was tested for a few diatomic molecules, selected specifically to be representative for typical cases in laser absorption and emission spectroscopy.
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8

Kolbuszewski, Marcin Carleton University Dissertation Chemistry. "Stability of the ground and excited states of diatomic neutral and multiply charged molecules." Ottawa, 1993.

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9

Hubert, Mickaël. "Relativistic coupled cluster theory for excited states at a general excitation rank : applications to diatomic molecules." Toulouse 3, 2013. http://thesesups.ups-tlse.fr/2046/.

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Cette thèse s'articule autour de développements méthodologiques sur l'évaluation théorique des énergies quantiques et relativistes d'état électroniquement excité d'atome ou de molécule. La méthode basée sur la fonction d'onde "Coupled Cluster" (CC) est à l'heure actuelle, une des méthodes les plus précise pour calculer ces états pour les systèmes à N-corps. L'implémentation présentée est basée sur un Hamiltonien relativiste à N-corps: Dirac-Coulomb à 4 composantes et une fonction d'onde "Coupled Cluster" au rang d'excitation arbitraire. Les états excités sont évalués via la théorie de la réponse linéaire, en diagonalisant la matrice Jacobienne Coupled Cluster. L'accent des travaux se porte sur l'évaluation de ses éléments en seconde quantification via un nouvel algorithme basé sur les commutateurs, et sur son adaptation au formalisme relativiste de Dirac à 4 composantes. Enfin, des applications du code à des molécules diatomiques non triviales seront présentées
This thesis focuses on methodological developments of the theoretical evaluation of the quantum and relativistic energy of electronically excited states of an atom or a molecule. The wave-function method Coupled Cluster (CC) is currently one of the most accurate methods to calculate these states for many-body systems. The implementation presented is based on the many-body relativistic 4-component Dirac-Coulomb Hamiltonian and a Coupled Cluster wave function at arbitrary excitation rank. The excited states are evaluated using linear response theory by diagonalizing the Coupled Cluster Jacobian matrix. The work focuses on the evaluation of these second-quantized elements using a new commutator-based algorithm, and on its adaptation to a Dirac 4-component relativistic formalism. Finally, I present some applications of the code to challenging diatomic molecules
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10

Arndt, Phillip Todd. "PROBING THE EXCITED ROVIBRATIONAL STATES OF SODIUM DIMERS." Miami University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=miami1438641133.

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Книги з теми "Quantum States - Diatomic Molecules"

1

W, Field Robert, ed. Perturbations in the spectra of diatomic molecules. Orlando: Academic Press, 1986.

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2

W, Field Robert, ed. Perturbations in the spectra of diatomic molecules. Orlando: Academic Press, 1986.

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3

W, Field Robert, and Lefebvre-Brion Hélène, eds. The spectra and dynamics of diatomic molecules. Amsterdam: Elsevier Academic Press, 2004.

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4

Filippi, Claudia. Multiconfiguration wavefunctions for quantum Monte Carlo calculations of first-row diatomic molecules. Ithaca, N.Y: Cornell Theory Center, Cornell University, 1996.

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5

Quantum chemistry. 6th ed. Upper Saddle River, N.J: Prentice Hall, 2008.

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6

N, Levine Ira. Quantum chemistry. 5th ed. Upper Saddle River, N.J: Prentice Hall, 2000.

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7

Quantum chemistry. 4th ed. Englewood Cliffs, N.J: Prentice Hall, 1991.

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8

Eland, John H. D., and Raimund Feifel. Diatomic molecules. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198788980.003.0003.

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Double ionisation of most of the experimentally accessible diatomic molecules has been studied previously by several techniques, including Auger spectroscopy, double electron transfer, kinetic energy release, and high-level theory. New double photoionisation spectra of HBr, HI, N2, CO, NO, O2, Br2, ICl, and I2 are presented here with analysis to identify the electronic states of the doubly charged ions. A simple empirical model is introduced to estimate double ionisation energies on the basis of orbital energies. For CO, NO, and O2, an indirect double ionisation mechanism is found, involving dissociation of a singly charged molecular ion followed by atomic autoionisation of one fragment. Energies of the dication states are listed with distinction between adiabatic and vertical values.
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9

Carrington, Alan, and John M. Brown. Rotational Spectroscopy of Diatomic Molecules. Cambridge University Press, 2003.

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10

Carrington, Alan, and John M. Brown. Rotational Spectroscopy of Diatomic Molecules. Cambridge University Press, 2010.

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Частини книг з теми "Quantum States - Diatomic Molecules"

1

Prasad, Ram Yatan, and Pranita. "Diatomic Molecules." In Computational Quantum Chemistry, 367–435. 2nd ed. Second edition. | Boca Raton : CRC Press, 2021.: CRC Press, 2021. http://dx.doi.org/10.1201/9781003133605-10.

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2

Rigamonti, Attilio, and Pietro Carretta. "Electronic states in diatomic molecules." In Structure of Matter, 251–84. Milano: Springer Milan, 2007. http://dx.doi.org/10.1007/978-88-470-0560-0_8.

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3

Rigamonti, Attilio, and Pietro Carretta. "Electronic States in Diatomic Molecules." In Structure of Matter, 237–69. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-17897-4_8.

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4

Rigamonti, Attilio, and Pietro Carretta. "Electronic states in diatomic molecules." In Structure of Matter, 257–91. Milano: Springer Milan, 2009. http://dx.doi.org/10.1007/978-88-470-1129-8_8.

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5

Partridge, Harry, Stephen R. Langhoff, and Charles W. Bauschlicher. "Electronic spectroscopy of diatomic molecules." In Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, 209–60. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0193-6_6.

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6

Greene, Chris H. "Elements of Quantum Defect Theory. III. Diatomic Molecules." In Photophysics and Photochemistry in the Vacuum Ultraviolet, 245–59. Dordrecht: Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-009-5269-0_8.

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7

Villars, D. S., and E. U. Condon. "Predissociation of Diatomic Molecules from High Rotational States." In Selected Scientific Papers of E.U. Condon, 102–6. New York, NY: Springer New York, 1991. http://dx.doi.org/10.1007/978-1-4613-9083-1_14.

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8

Sarkar, Pranab, and Sankar Prasad Bhattacharyya. "Quantum States of Solids." In Understanding Properties of Atoms, Molecules and Materials, 159–81. New York: CRC Press, 2022. http://dx.doi.org/10.1201/9781003244882-5.

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9

Hiyama, Miyabi, and Hiroki Nakamura. "Characteristics and Dynamics of Superexcited States of Diatomic Molecules." In Structure and Dynamics of Electronic Excited States, 296–315. Berlin, Heidelberg: Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-59855-5_12.

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10

Khersonsky, V. K., and E. V. Orlenko. "Elements of Theory of Angular Moments as Applied to Diatomic Molecules and Molecular Spectroscopy." In Quantum Science, 207–348. Singapore: Springer Nature Singapore, 2022. http://dx.doi.org/10.1007/978-981-19-4421-5_5.

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Тези доповідей конференцій з теми "Quantum States - Diatomic Molecules"

1

Kung, A. H., R. H. Page, R. J. Larkin, Y. R. Shen, Y. T. Lee, and N. A. Gershenfeld. "XUV resonant multiphoton ionization of H2." In OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1985. http://dx.doi.org/10.1364/oam.1985.tuc4.

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We have applied XUV-UV two-photon resonant multiphoton ionization (REMPI) to the detection of H2, an important homonuclear diatomic that is infrared inactive and has its electronic bands in the VUV and XUV spectral regions. The Lyman ( B 1 Σ u + ) band and the Werner (C1Π u ) band are used as the resonant intermediate state in this study. The Werner band is found to be superior because ionization produces predominantly H 2 + whereas the Lyman band also produces H+ ions with variable intensities. By using the v' = 0 state of the Werner band as the intermediate, we achieved a sensitivity of 1.1 × 106 molecules/cc/quantum state. This is 2 orders of magnitude better than any techniques previously reported for H2. The ion signal is shown to be proportional to the ground state absorption when ionization from the excited state is saturated. This saturation reduces the MPI process to a linear process and simplifies calibration in the application of this technique to quantum-state-specific detection of H2. This technique will also be useful as a sensitive detector of other homonuclear diatomics such as F2, Cl2, and N2, which are of great general interest in chemistry, combustion, and semiconductor fabrication.
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2

Ryan, J. C., D. V. Plant, C. L. Adler та N. M. Lawandy. "Optical properties of β-quinol clathrates in the far infrared". У OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1988. http://dx.doi.org/10.1364/oam.1988.thdd3.

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Clathrate compounds are ideal systems for the study of quantum confined atoms and molecules. Experimental and theoretical studies of β-quinol clathrates with a variety of guest atoms and molecules have been performed. A harmonic potential with quartic perturbation has been used to model the β-quinol cage seen by the guest atom or molecule to explain comparable far-infrared transition probabilities from quantized states of the clathrate cage for noble gas atoms and simple homonuclear and heteronuclear diatomics.1 Predictions of overtone absorption cross section and third-order nonlinear susceptibilities have been made based on this model. Experiments were aimed at determining overtone cross sections and third harmonic generation susceptibilities. The overtone and fundamental excitation of N2 and Xe clathrates were studied using a cw CH2F2 laser at 184.6 μm and several CO2 TEA laser-pumped superfluorescent emissions of NH3 and D2O. In addition, third harmonic generation was studied in Xe clathrates using MW/cm2 sources as the fundamentals just below the n= 0 → 1 transition at 43.5 cm−1.
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3

Khan, Sohail A., M. Z. Mat Jafri, K. L. Low, Swee-Ping Chia, Kurunathan Ratnavelu, and Muhamad Rasat Muhamad. "Resonance Parameters of Quasibound States For Diatomic Molecules." In FRONTIERS IN PHYSICS: 3rd International Meeting. AIP, 2009. http://dx.doi.org/10.1063/1.3192277.

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4

Zi-Min Lu, Michel Vallières, and Jian-Min Yuan. "Laser-assisted molecular dissociation and recombination of diatomic molecules." In Computational quantum physics. AIP, 1992. http://dx.doi.org/10.1063/1.42605.

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5

Branderhorst, Matthijs P. A., Ian A. Walmsley, and Robert L. Kosut. "Quantum Proces Tomography of Decoherence in Diatomic Molecules." In 2007 European Conference on Lasers and Electro-Optics and the International Quantum Electronics Conference. IEEE, 2007. http://dx.doi.org/10.1109/cleoe-iqec.2007.4386776.

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6

Bandrauk, André D., and O. F. Kalman. "Dynamics in Intense Fields - Beyond the Dipole Approximation." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tuc1.

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We have recently shown in a series of papers [1-7] that coupled equations methods of quantum collision theory can be conveniently used to investigate processes such as direct photodissociation [1-2], Resonance Raman Scattering in weak and strong fields [3-5], and higher order nonlinear spectroscopies [6-7] for diatomics involving several well isolated excited electronic states. This was done using the dressed molecule picture [8-12] of molecule-radiation interaction, wherein photon states are explicitly included into the theoretical description. All these methods are adequate only in the case of well isolated electronic states. There is an urgent need to derive a priori the most efficient representation for general electron-nuclear-radiation field systems such as occurs in strong field laser chemistry. In recent work we have examined this problem in an effort to incorporate as much as possible the electromagnetic field into the dynamics [13-14]. One might surmise that classical approaches should work sufficiently well at the high field intensities described here, and much work has been pursued in that direction. As we have pointed out previously, this involves treating both the molecule and the field classically. For electron-radiation interactions one would prefer a quantum formulation, since electronic states are, as a result of their large excitation energies, true quantum states. Furthermore, quantum mechanics leads to a linear theory of interactions whereas classical mechanics is a highly nonlinear theory [15]. Thus using a quantum formulation of matter- field interactions [16-17], we have been able to exploit methods of early (non-covariant) quantum electrodynamics (QED). In particular we have shown that the Bloch-Nordsieck (BN) representation [18-20] (which leads naturally to the concept of coherent states in momentum space was very convenient as a method of introducing strong field effects directly into the quantum dynamics of molecular systems. Coulomb gauge ( A → . p → ) and Electric Field Gauge ( E → . r → ) representations were shown to be poor zeroth order approximations for the dressed molecular eigenstates in the presence of strong fields, i.e., the adiabatic coupled equations for the latter two gauges define the appropriate adiabatic state as unperturbed (zero field) molecular states [13-14].
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7

Branderhorst, M. P. A., P. Londero, P. Wasylczyk, I. A. Walmsley, C. Brif, H. Rabitz, and R. L. Kosut. "Coherent control of decoherence in diatomic molecules." In 2006 Conference on Lasers and Electro-Optics and 2006 Quantum Electronics and Laser Science Conference. IEEE, 2006. http://dx.doi.org/10.1109/cleo.2006.4628581.

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8

Jastrzebski, W., W. Jasniecki, Pawel Kowalczyk, R. Nadyak, and A. Pashov. "Determination of accurate potential energy curves for diatomic molecules." In 11th International School on Quantum Electronics: Laser Physics and Applications, edited by Peter A. Atanasov and Stefka Cartaleva. SPIE, 2001. http://dx.doi.org/10.1117/12.425144.

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9

van Lippen, T., R. Nötzel, A. Yu Silov, and J. H. Wolter. "Delocalized Electron States in Quantum Dot Molecules." In PHYSICS OF SEMICONDUCTORS: 28th International Conference on the Physics of Semiconductors - ICPS 2006. AIP, 2007. http://dx.doi.org/10.1063/1.2730184.

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10

Bayer, M., G. Ortner, A. Larionov, A. Kress, Alfred W. B. Forchel, Pawel Hawrylak, K. Hinzer, et al. "Entangled exciton states in quantum dot molecules." In SPIE Proceedings, edited by Zhores I. Alferov and Leo Esaki. SPIE, 2002. http://dx.doi.org/10.1117/12.514621.

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