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Academic literature on the topic 'TWO ELECTRON ATOMS'

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Published: 10 March 2023
Last updated: 11 March 2023

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Journal articles on the topic "TWO ELECTRON ATOMS"

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OSENDA, OMAR, PABLO SERRA, and SABRE KAIS. "DYNAMICS OF ENTANGLEMENT FOR TWO-ELECTRON ATOMS." International Journal of Quantum Information 06, no. 02 (April 2008): 303–16. http://dx.doi.org/10.1142/s0219749908003463.

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We studied the dynamics of the entanglement for two electron atoms with initial states created from a superposition of the eigenstates of the two-electron Hamiltonian. We present numerical evidence that the pairwise entanglement for the two electrons evolves in a way that is strongly related with the time evolution of the Coulombic interaction between the two electrons.
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Désesquelles, J. "Spectroscopy of two-electron atoms." Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 31, no. 1-2 (April 1988): 30–40. http://dx.doi.org/10.1016/0168-583x(88)90391-6.

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Çapak, Mustafa, and Bülent Gönül. "A Search on Two-Electron Atoms." Journal of Modern Physics 02, no. 09 (2011): 1051–55. http://dx.doi.org/10.4236/jmp.2011.29127.

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Herschbach, D. R. "Dimensional interpolation for two‐electron atoms." Journal of Chemical Physics 84, no. 2 (January 15, 1986): 838–51. http://dx.doi.org/10.1063/1.450584.

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Loeser, J. G., and D. R. Herschbach. "Dimensional expansions for two‐electron atoms." Journal of Chemical Physics 86, no. 4 (February 15, 1987): 2114–22. http://dx.doi.org/10.1063/1.452109.

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Boumerzoug, M. S., and J. Miletic. "Variational method for two‐electron atoms." Journal of Chemical Physics 91, no. 8 (October 15, 1989): 5129–31. http://dx.doi.org/10.1063/1.457611.

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Richter, Klaus, Gregor Tanner, and Dieter Wintgen. "Classical mechanics of two-electron atoms." Physical Review A 48, no. 6 (December 1, 1993): 4182–96. http://dx.doi.org/10.1103/physreva.48.4182.

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Feagin, James M., and John S. Briggs. "Molecular Description of Two-Electron Atoms." Physical Review Letters 57, no. 8 (August 25, 1986): 984–87. http://dx.doi.org/10.1103/physrevlett.57.984.

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Hasbani, R., H. Bachau, and E. Cormier. "Two electron atoms in strong field." Le Journal de Physique IV 10, PR8 (May 2000): Pr8–233. http://dx.doi.org/10.1051/jp4:2000868.

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Bielinska-Waz, D., J. Karwowski, and G. H. F. Diercksen. "Spectra of confined two-electron atoms." Journal of Physics B: Atomic, Molecular and Optical Physics 34, no. 10 (May 4, 2001): 1987–2000. http://dx.doi.org/10.1088/0953-4075/34/10/312.

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Dissertations / Theses on the topic "TWO ELECTRON ATOMS"

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Armstrong, G. S. J. "Electron dynamics of one- and two-electron atoms in intense laser fields." Thesis, Queen's University Belfast, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.546004.

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Vaillant, Christophe Louis J. "Long-range interactions in one- and two-electron Rydberg atoms." Thesis, Durham University, 2014. http://etheses.dur.ac.uk/10594/.

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We present calculations of long-range interactions in Rydberg atoms, with a focus on the dipole-dipole interactions of strontium Rydberg states. The growing use of Rydberg states in the field of cold atoms necessitates a more detailed understanding of the effects of dipole-dipole interactions, which are currently being investigated in a number of research groups worldwide. Calculations of long-range interactions in Rydberg states of caesium, cal- cium, rubidium, strontium and ytterbium are presented. By taking the one active electron approximation we develop consistent models of these long- range interactions, and construct a survey of the Rydberg state dipole-dipole interactions and quadrupole-quadrupole interactions. We compare the inter- actions between series and between atoms, highlighting the importance of certain series for applications suggested in previous works. In order to include two-electron effects in the description of dipole-dipole interactions in divalent atoms, we use multichannel quantum defect theory (MQDT) to develop models of the Rydberg series of strontium. We use an empirical reactance matrix formalism, where the reactance matrix is fitted to reproduce experimentally measured values of the bound state energy levels. Models are found for all series of strontium with L ≤ 3. We extend the MQDT formalism to the description of the natural radiative lifetimes of strontium, where the perturbers are found to have a large quenching effect on these lifetimes. By incorporating the MQDT description of the Rydberg states of strontium into the calculation of dipole-dipole interactions, we find a spin-forbidden two-atom resonance in the 3D2 states of strontium. We consider a one- dimensional lattice of strontium atoms, and find that the internal dynamics of the Rydberg atoms demonstrates spin transport for large lattice spacings and a separation of the spin and total angular momentum dynamics for small lattice spacings. Spin-angular momentum separation (analogous to spin-charge separation in condensed matter) in strontium Rydberg atoms may have uses in the investigation of one-dimensional Fermi gases and their description using Luttinger liquid theory.
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Persaud, Michael Alan. "Doppler-free two-photon spectroscopy of one electron atoms using pulsed lasers." Thesis, University of Southampton, 1991. https://eprints.soton.ac.uk/361600/.

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In two independent experiments, frequency doubled pulse amplified dye laser light has been used in performing Doppler-free two-photon spectroscopy of the 1S½−2S½ transition in atomic hydrogen and muonium. Absolute values gained for the 1S½−2S½ transition frequencies were 2466 061 416(9) MHz and 2455 528 964(72) MHz for hydrogen and muonium respectively. Values for the ground state Lamb shifts were inferred to be 8171(9) MHz for hydrogen and 8079(73) MHz for muonium. All results were found to be in agreement with current quantum electrodynamic (QED) theory. Assuming QED theory to be accurate, then the hydrogen experiment yielded a new value for the Rydberg constant of 109 737 31.58(4) m−1, which is in agreement with other independent measurements. A separate experiment demonstrated a novel and general technique for efficiently frequency doubling mode-locked laser light, based on second harmonic generation inside an actively stabilised external ring enhancement cavity. When applied to a synchronously pumped mode-locked dye laser, over 100mW average power of tunable light around 243nm was available from the system corresponding to crystal conversion efficiencies in excess of 55%. A simple theoretical model successfully described the performance of this system. FM sideband frequency stabilisation of mode-locked lasers is treated both theoretically and experimentally. For the mode-locked dye laser, a frequency stability to within 500kHz relative to a reference interferometer was routinely possible. The frequency stabilised tunable uv light is ideal for performing Doppler-free coherent multiple pulse spectroscopy and may find application in the synchronous pumping of optical parametric oscillators or in selectively breaking chemical bonds.
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Yamamoto, Ryuta. "A Quantum Gas Microscope of Two-electron Atoms with Fluorescence and Faraday Imaging." Kyoto University, 2016. http://hdl.handle.net/2433/217727.

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Hofbrucker, Jiří [Verfasser], Stephan [Gutachter] Fritzsche, Alejandro [Gutachter] Saenz, and Eva [Gutachter] Lindroth. "Two-photon ionization of many-electron atoms / Jiří Hofbrucker ; Gutachter: Stephan Fritzsche, Alejandro Saenz, Eva Lindroth." Jena : Friedrich-Schiller-Universität Jena, 2020. http://d-nb.info/1212509110/34.

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Gorman, Timothy Thomas. "Attosecond Probing of Electron Dynamics in Atoms and Molecules using Tunable Mid-Infrared Drivers." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu15428283538078.

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Filippin, Livio. "Relativistic study of electron correlation effects on polarizabilities, two-photon decay rates, and electronic isotope-shift factors in atoms and ions: ab initio and semi-empirical approaches." Doctoral thesis, Universite Libre de Bruxelles, 2017. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/261670.

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The first aim of this thesis is to perform relativistic calculation of atomic and ionic polarizabilities and two-photon decay rates. Hydrogenic systems are treated by the Lagrange-mesh method. The extension to alkali-like systems is realized by means of a semiempirical-core-potential approach combined with the Lagrange-mesh method. The studied systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals are defined by a Dirac-Hartree-Fock (DHF) calculation using the GRASP2K package. The valence electron is described by a Dirac-like Hamiltonian involving a core-polarization potential to simulate the core-valence electron correlation. Polarizabilities appear in a large number of fields and applications, namely in cold atoms physics, metrology and chemical physics. Two-photon transitions are part of a priori highly unlikely processes and are therefore called forbidden radiative processes. Experimental situations report decays from metastable excited states through these channels. Long lifetimes were measured for highly charged Be-like ions in recent storage-ring experiments, but their interpretation is problematic. The study of the competition between forbidden (one-photon beyond the dipole approximation, or multi-photon) and unexpected (hyperfine-induced or induced by external magnetic fields) radiative processes is all obviously relevant. The second aim of this thesis is to perform relativistic ab initio calculations of electronic isotope-shift (IS) factors by using the multiconfiguration DHF (MCDHF) method implemented in the RIS3/GRASP2K and RATIP program packages. Using the MCDHF method, two different approaches are adopted for the computation of electronic IS factors for a set of transitions between low-lying levels of neutral systems. The first one is based on the estimate of the expectation values of the one- and two-body nuclear recoil Hamiltonian for a given isotope, including relativistic corrections derived by Shabaev, combined with the calculation of the total electron densities at the origin. In the second approach, the relevant electronic factors are extracted from the calculated transition shifts for given triads of isotopes. These electronic quantities together with observed ISs between different pairs of isotopes provide the changes in mean-square charge radii of the atomic nuclei. Within this computational approach for the estimation of the mass- and field-shift factors, different models for electron correlation are explored in a systematic way to determine a reliable computational strategy, and to estimate theoretical error bars of the IS factors.
Doctorat en Sciences de l'ingénieur et technologie
info:eu-repo/semantics/nonPublished
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Pal, Rupsi. "Development of non-linear coupled-cluster single-double method and calculation of properties of atoms with one and two valence electrons." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 121 p, 2009. http://proquest.umi.com/pqdweb?did=1654501301&sid=1&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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Dulieu, Olivier. "Etude des systemes atomiques a deux electrons externes par la methode de fonction d'onde correlee de pluvinage : application a l'etude des ions alcalins negatifs." Paris 6, 1987. http://www.theses.fr/1987PA066350.

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Par cette methode, etude detaillee des etats excites et autoionisants de l'atome me; comparaison aux donnees experimentales et a des calculs par d'autres methodes. Extension de la methode de l'analyse a des systemes a deux electrons externes : li**(-), na**(-), k**(-)
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Ott, Christian [Verfasser], and Thomas [Akademischer Betreuer] Pfeifer. "Attosecond multidimensional interferometry of single and two correlated electrons in atoms / Christian Reinhold Ott ; Betreuer: Thomas Pfeifer." Heidelberg : Universitätsbibliothek Heidelberg, 2012. http://d-nb.info/117978569X/34.

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Books on the topic "TWO ELECTRON ATOMS"

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Bethe, Hans Albrecht. Quantum mechanics of one- and two-electron atoms. Mineola, N.Y: Dover Publications, 2008.

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Greenspan, Donald. Classical computer studies of one-electron and two-electron atoms and ions. Arlington, Tex: University of Texas at Arlington, Dept. of Mathematics, Research Center for Advanced Study (RCAS), 1991.

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A, Boĭko V., ed. Spectroscopic constants of atoms and ions: Spectra of atoms with one or two electrons. Boca Raton: CRC Press, 1994.

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Bethe, Hans Albrecht. Quantum Mechanics of One- and Two-Electron Atoms. Springer, 2013.

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Bethe, Hans Albrecht. Quantum Mechanics of One- and Two-Electron Atoms. Springer, 2014.

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Bethe, Hans Albrecht. Quantum Mechanics of One- and Two-Electron Atoms. Dover Publications, Incorporated, 2013.

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Bethe, Hans Albrecht. Quantum Mechanics of One- and Two-Electron Atoms. Springer, 2014.

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Bethe, Hans Albrecht. Quantum Mechanics of One- and Two-Electron Atoms. Springer London, Limited, 2012.

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Close, Frank. 1. The fly in the cathedral. Oxford University Press, 2015. http://dx.doi.org/10.1093/actrade/9780198718635.003.0001.

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‘The fly in the cathedral’ charts the discovery of the nuclear atom and the start of modern atomic and nuclear physics. It began in 1895 with the discovery of X-rays by Wilhelm Roentgen and radioactivity by Henri Becquerel. In 1897, J.J. Thomson discovered the electron and realised they were common to all atoms, which implied that atoms have an internal structure. Negatively-charged electrons are bound to positively-charged entities within the atom, but what carries this positive charge and how is it distributed? It was Ernest Rutherford, in 1911, who announced his solution: all of an atom’s positive charge and most of its mass are contained in a compact nucleus at the centre.
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Levin, Frank S. Spin ½ and the Periodic Table. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198808275.003.0011.

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Some major quantal developments are described in Chapter 10. The Stern-Gerlach experiment is encountered first, wherein a beam of silver atoms is deflected by a magnetic field, leading to a pair of traces on a detecting plate. Next is the proposal that electrons have a new attribute known as spin, used to explain the Stern-Gerlach result, thereby confirming the validity of this new attribute. To account for the structure of the periodic table, the central-field approximation is introduced. In it, electrons in an atom are treated like those in hydrogen, except that they have four not three quantum numbers, the fourth related to spin. The Pauli Exclusion Principle requires that no four can be the same for any electron in the atom, a feature that explains the occurrence of shells in the periodic table. The electronic structure of various atoms is stated, with silver being a giant spin ½ system.
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Book chapters on the topic "TWO ELECTRON ATOMS"

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Gottfried, Kurt, and Tung-Mow Yan. "Two-Electron Atoms." In Graduate Texts in Contemporary Physics, 267–81. New York, NY: Springer New York, 2003. http://dx.doi.org/10.1007/978-0-387-21623-2_6.

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Hertel, Ingolf V., and Claus-Peter Schulz. "Helium and Other Two Electron Systems." In Atoms, Molecules and Optical Physics 1, 341–75. Berlin, Heidelberg: Springer Berlin Heidelberg, 2015. http://dx.doi.org/10.1007/978-3-642-54322-7_7.

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Patil, S. H., and K. T. Tang. "Two- and Three-Electron Atoms and Ions." In Asymptotic Methods in Quantum Mechanics, 21–39. Berlin, Heidelberg: Springer Berlin Heidelberg, 2000. http://dx.doi.org/10.1007/978-3-642-57317-0_3.

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Chandra, N., and R. Ghosh. "Coulombic Entanglement: Two-Step Double Photoionization of Atoms." In Quantum Entanglement in Electron Optics, 135–48. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-24070-6_6.

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Drake, Gordon W. F., and A. van Wijngaarden. "Radiative Transitions in One- and Two-Electron Ions." In Physics of Highly-Ionized Atoms, 143–87. Boston, MA: Springer US, 1989. http://dx.doi.org/10.1007/978-1-4613-0833-1_4.

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Lambropoulos, P., and X. Tang. "Two-Electron Atoms in Ultra Short, Intense Pulses." In Super-Intense Laser-Atom Physics, 403–11. Boston, MA: Springer US, 1993. http://dx.doi.org/10.1007/978-1-4615-7963-2_34.

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Feder, Roland, Herbert Gollisch, Thomas Scheunemann, Jamal Berakdar, and Jürgen Henk. "Theory of Electron- and Photon-Induced Two-Electron Emission from Surfaces." In Many-Particle Spectroscopy of Atoms, Molecules, Clusters, and Surfaces, 435–49. Boston, MA: Springer US, 2001. http://dx.doi.org/10.1007/978-1-4615-1311-7_35.

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Zurales, Robert W., Eric Stratmann, Shaleen Botting, and Robert R. Lucchese. "One- and Two-Electron Resonances in Molecular Photoionization." In Photon and Electron Collisions with Atoms and Molecules, 109–24. Boston, MA: Springer US, 1997. http://dx.doi.org/10.1007/978-1-4615-5917-7_8.

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Lin, C. D. "Classification of Doubly Excited States of Two-Electron Atoms." In NATO ASI Series, 259–73. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4684-5544-1_15.

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Lambropoulos, P., L. A. A. Nikolopoulos, L. B. Madsen, and M. G. Makris. "Two- and- Three Electron Atoms in Strong Laser Fields." In Super-Intense Laser-Atom Physics, 153–68. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-010-0754-2_14.

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Conference papers on the topic "TWO ELECTRON ATOMS"

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Rau, A. R. P. "A Pair Description of Two-Electron States." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tua3.

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Two electron states may be divided into two classes. Those in which only one electron is excited, or in which when both are excited they have very different degrees of excitation, form a group distinct from those in which both electrons share comparable amounts of excitation. Particularly for the latter, an appropriate description is one which views the pair of electrons as a single entity from the start. Such states have been called "ridge states" and may be distinguished from the other group of states with disparate excitation by using the term "planetary states" for the latter. In this contribution, we take further steps in the evolving description of a basis for two-electron states in terms of the pair. Thereby we have a complementary description and basis to the independent particle picture.
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Klar, Hubert. "Novel motions in highly excited two-electron atoms." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tua6.

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Mostowski, Jan, Marek Trippenbach, and Cao Long Van. "Model of Two-Electron Ionization Based on Semi-Classical Phase Space Averaging." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tuc8.

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Komninos, Yannis, and Cleanthes A. Nicolaides. "Wannier Two-Electron Ionization Ladder in Many-Electron Systems: The 1P0 Doubly Excited States in H−, He, and Li+." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tua4.

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Doubly excited states have been in the focus of experimental and theoretical research of atomic and molecular physics for a number of decades. An outstanding problem in this field is the so-called Wannier problem (1-3). The related progress has not yet been able to provide rigorous quantum mechanical, many-electron explanations and the concepts and information currently employed are either classical or semiquantitative.
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Srivastava, R., and W. Williamson. "Double Electron Excitation of Lithium by Electron Impact." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tuc16.

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Excitation of the autoionizing states caused by single inner shell electron excitations in alkalai atoms by electron impact have been well studied using various approximations. These include the Born, Glauber1 and distorted wave theories.2 In lithium, in addition to single excitation, there have been some doubly excited states observed. The doubly excited states with the two electrons are the most fundamental atomic species which autoionize. Such doubly excited states in helium and alkaline earths have also been studied.3-5 A first step towards the study of such excitations in lithium would be to find the cross sections for their production by electrons. The first calculations of this nature were done by Kulander and Dahler4 using the simple Born Oppenheimer approximation. They reported results for Li(1s)2(2s)2S→Li(1s) (2p)2 4P. We reconsidered this problem in a more precise manner using the distorted wave theory. Our distorted wave calculation includes distortion of the initial and final states of the incoming and outgoing electrons separately by using different distorting potentials. We have used the static potential, the polarization of the target lithium atom as well as the exchange of the incoming electron with the bound electrons in the target. The bound states of the target are represented in initial and final states by the Hartree Fock wave functions as used by Kulander and Dahler.4 The details of the analysis, results and discussion will be presented at the conference. In Table I we briefly display our results using various versions of the distorted wave theory (Ei is the incident energy in Ry, I and F represent the inclusion of the initial and final state static potentials respectively, E and P signify the additional inclusions of the exchange and polarization potentials).
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Crowe, Albert. "Complete experiments for electron excitation of pseudo-two-electron atoms." In CORRELATIONS,POLARIZATION,AND IONIZATION IN ATOMIC SYSTEMS:Proceedings of the International Symposium on(e,2e),Double Photoionization and Related Topics and the Eleventh International Symposium on Polarization and Correlation in Electronic and Atomic .... AIP, 2002. http://dx.doi.org/10.1063/1.1449327.

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Kulander, Kenneth C. "Time Dependent Hartree Fock Theory of Multiphoton Ionization." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tub3.

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The theory of multiphoton ionization for single electron atoms (or pseudo-one electron atoms such as sodium and cesium) is relatively well established from the standpoint of the knowing the relevant equations to be solved and interpreting the results. There is still some debate about the above threshold effects, but ionization rates have been calculated for high order processes, and the results agree well with experiment. This is not the case for multi-electron systems. In the limit of laser fields which are very strong compared to the Coulombic interactions, collective motion should be expected. At lower laser intensities, linear response theory or perturbation theory has proven to be adequate to model the absorption processes. In this regime, the inter-electronic forces are stronger than the photon-electron interaction so that the perturbation series is convergent. For the intermediate regime, say >1014W/cm2, these two kinds of interactions should be treated on the same footing. A complete, exact, many body calculation for this problem is not possible so that several approximations have been considered. Independent particle models seem to be the most reasonable, with time dependent Hartree Fock being able to include most of the important physical effects, particularly as the number of electrons increases. The major approximation of this approach is that the state of the system is represented by a single, determinantal wave function for all time. This constraint limits the kinds of information which can be obtained from the calculations to averaged quantities. It has the merit, however, of including the effects of the time evolution of the electronic charge density on the absorption process. The redistribution of absorbed energy between all the system's electrons, and the rate at which this occurs is part and parcel of the calculations. This energy exchange is done self consistently so that an understanding of the total absorption dynamics is possible. This seems a minimum requirement in order to investigate any collective effects.
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Camus, P., P. Pillet, and J. Boulmer. "Double Rydberg Spectroscopy of Barium Atom." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.mc5.

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One of the interesting problem of atomic physics is to understand better the dynamic of highly excited two-electron systems (nℓn‘ℓ’). Recently, the exploration of highly excited two-electron states so called "double-Rydberg" states have been performed using multiphoton laser excitation in barium. From a theoretical point of view two classes of "double-Rydberg” states can be considered. At the so-called Wannier ridge (n~n’), the correlation between the electrons becomes pre-dominant. On the other hand, on both sides of the Wannier ridge (n’>>n), the outermost electron is moving in the field of the ionic core, partly screened by the inner electron. Properties of such "double-Rydberg states called "valley states" or planetary atoms could be described in terms of quantum defect theory.
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Clark, Charles W., and Stephen J. Buckman. "Regularities of Negative Ion Resonances." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tua5.

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The effects of electron correlation in atomic and molecular systems are perhaps most pronounced in negative ions. No long-range Coulomb field is present to bind an additional electron to a parent state of a neutral atom. The stability of a negative ion state is thus usually attributed to one of two alternative mechanisms, both of which invoke electron correlation phenomena: i) polarization of the parent atom provides an attractive potential in which an electron can be weakly bound; ii) two electrons orbit a singly-charged positive ion in a highly correlated fashion, so that each electron is effectively subject to the Coulomb potential of a fractional charge. These correspond respectively to motions in the valleys and upon the ridge of a hyperspherical potential surface. Both mechanisms seem capable of generating the long series of resonances converging on the parent ionization limit, which have been observed in most negative ion systems.1
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Greene, Chris H. "Multiple Excitation of Atomic Electrons." In Multiple Excitations of Atoms. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/mea.1986.tua1.

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The strong interactions between simultaneously-excited electrons require nonperturbati ve theoretical techniques for their successful description. Two such nonperturbative techniques which have been pursued vigorously in recent years are the adiabatic treatment in hyperspherical coordinates and the R-matrix method. Of these, the hyperspherical treatment, which singles out the total electronic moment of inertia as an adiabatic coordinate, has been more valuable in providing a visual picture of the global evolution of electron correlations in energy and radius. The R-matrix method has evolved instead into a simple, efficient, and accurate procedure for quantitative calculations of photoionization and scattering processes. To date, however, the applications of this finite-volume variational method have been restricted primarily to the lower-lying doubly-excited channels of any given atom or molecule.
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Reports on the topic "TWO ELECTRON ATOMS"

1

Shakeshaft, Robin. Final Report: Interaction of Two Electron Atoms with Light. [November 1, 1994 - October 31, 1998]. Office of Scientific and Technical Information (OSTI), October 1998. http://dx.doi.org/10.2172/765650.

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Armstrong, Gregory, and James P. Colgan. Application of the time-dependent close-coupling method to ionization of multi-electron atoms. Office of Scientific and Technical Information (OSTI), March 2014. http://dx.doi.org/10.2172/1124627.

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3

Anisimov, Petr Mikhaylovich. From shy atoms and photons to quantum future of X-ray free electron lasers. Office of Scientific and Technical Information (OSTI), February 2015. http://dx.doi.org/10.2172/1170698.

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4

Rezayi, Edward. Numerical Studies of Collective Phenomena in Two-Dimensional Electron and Cold Atom Systems. Office of Scientific and Technical Information (OSTI), July 2013. http://dx.doi.org/10.2172/1088513.

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5

Ків, Арнольд Юхимович, D. Fuks, Наталя Володимирівна Моісеєнко, and Володимир Миколайович Соловйов. Silicon-aluminum bonding in Al alloys. Transport and Telecommunication Institute, 2002. http://dx.doi.org/10.31812/0564/1033.

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Ab initio calculation was performed to investigate the nature of Si-Al bonding in Al based alloys. Total electronic energy Etot for different configurations of the model cluster Si2Al6 was calculated. When the model cluster consists of two perfect tetrahedrons there is a strong influence of the Si-Si distance on the Si-Al adiabatic potential. The equilibrium distance between Si and Al atoms increases with the length of Si-Si bond increasing. It was concluded that description of Si clusters in Al matrix demands an account of the angle depending part of Si-Al interaction.
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6

Lewis, Greyson R., William E. Bunting, Rajendra R. Zope, Brett I. Dunlap, and James C. Ellenbogen. Smooth Scaling of Valence Electronic Properties in Fullerenes: From One Carbon Atom, to C60, to Graphene. Fort Belvoir, VA: Defense Technical Information Center, September 2012. http://dx.doi.org/10.21236/ada586485.

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7

Nelson, Nathan, and Charles F. Yocum. Structure, Function and Utilization of Plant Photosynthetic Reaction Centers. United States Department of Agriculture, September 2012. http://dx.doi.org/10.32747/2012.7699846.bard.

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Light capturing and energy conversion by PSI is one of the most fundamental processes in nature. In the heart of these adaptations stand PSI, PSII and their light harvesting antenna complexes. The main goal of this grant proposal was to obtain by X-ray crystallography information on the structure of plant photosystem I (PSI) and photosystem II (PSII) supercomplexes. We achieved several milestones along this line but as yet, like several strong laboratories around the world, we have no crystal structure of plant PSII. We have redesigned the purification and crystallization procedures and recently solved the crystal structure of the PSI supercomplex at 3.3 Å resolution. Even though this advance in resolution appears to be relatively small, we obtained a significantly improved model of the supercomplex. The work was published in J. Biol. Chem. (Amunts et al., 2010). The improved electron density map yielded identification and tracing of the PsaK subunit. The location of an additional 10 ß-carotenes, as well as 5 chlorophylls and several loop regions that were previously uninterruptable have been modeled. This represents the most complete plant PSI structure obtained thus far, revealing the locations of and interactions among 17 protein subunits and 193 non-covalently bound photochemical cofactors. We have continued extensive experimental efforts to improve the structure of plant PSI and to obtain PSII preparation amenable to crystallization. Most of our efforts were devoted to obtain well-defined subcomplexes of plant PSII preparations that are amenable to crystallization. We studied the apparent paradox of the high sensitivity of oxygen evolution of isolated thylakoids while BBY particles exhibit remarkable resilience to the same treatment. The integrity of the photosystem II (PSII) extrinsic protein complement as well as calcium effects arise from the Ca2+ atom associated with the site of photosynthetic water oxidation were investigated. This work provides deeper insights into the interaction of PsbO with PSII. Sight-directed mutagenesis indicated the location of critical sites involved in the stability of the water oxidation reaction. When combined with previous results, the data lead to a more detailed model for PsbO binding in eukaryotic PSII.
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