Journal articles on the topic 'Wavefunction monte carlo'
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Giner, Emmanuel, Anthony Scemama, and Michel Caffarel. "Using perturbatively selected configuration interaction in quantum Monte Carlo calculations." Canadian Journal of Chemistry 91, no. 9 (September 2013): 879–85. http://dx.doi.org/10.1139/cjc-2013-0017.
Full textFRANJIĆ, FRANJO, and SANDRO SORELLA. "A VARIATIONAL STUDY OF FERMI AND LUTTINGER LIQUID WAVEFUNCTIONS IN THE TWO-DIMENSIONAL t-J MODEL." Modern Physics Letters B 10, no. 18 (August 10, 1996): 873–81. http://dx.doi.org/10.1142/s0217984996000997.
Full textErkoc, S. "Wavefunction correction scheme for non fixed-node diffusion Monte Carlo." Journal of Atomic and Molecular Sciences 2, no. 1 (June 2011): 1–9. http://dx.doi.org/10.4208/jams.072810.082010a.
Full textMcdowell, Keith. "Assessing the quality of a wavefunction using quantum monte carlo." International Journal of Quantum Chemistry 20, S15 (June 19, 2009): 177–81. http://dx.doi.org/10.1002/qua.560200818.
Full textRao, Lu, and Fan Wang. "Diffusion quantum Monte Carlo method on diradicals using single- and multi-determinant-Jastrow trial wavefunctions and different orbitals." Journal of Chemical Physics 156, no. 12 (March 28, 2022): 124308. http://dx.doi.org/10.1063/5.0086606.
Full textGROS, CLAUDIUS, and ROSER VALENTÍ. "LUTTINGER-LIQUID BEHAVIOUR IN 2D: THE VARIATIONAL APPROACH." Modern Physics Letters B 07, no. 03 (February 10, 1993): 119–41. http://dx.doi.org/10.1142/s0217984993000151.
Full textSamaras, M., and C. J. Hamer. "Forward-walking Green's Function Monte Carlo Method for Correlation Functions." Australian Journal of Physics 52, no. 4 (1999): 637. http://dx.doi.org/10.1071/ph98092.
Full textNakano, Masayoshi, Kenji Okada, Takanori Nagami, Takayoshi Tonami, Ryohei Kishi, and Yasutaka Kitagawa. "Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates." Molecules 24, no. 3 (February 1, 2019): 541. http://dx.doi.org/10.3390/molecules24030541.
Full textKeens, Robert H., and Daniel R. Kattnig. "Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals." New Journal of Physics 22, no. 8 (August 24, 2020): 083064. http://dx.doi.org/10.1088/1367-2630/aba76d.
Full textRiley, Kevin E., and James B. Anderson. "A new variational Monte Carlo trial wavefunction with directional Jastrow functions." Chemical Physics Letters 366, no. 1-2 (November 2002): 153–56. http://dx.doi.org/10.1016/s0009-2614(02)01530-0.
Full textXIAO, YINGSHENG, and BILL POIRIER. "USING DISCRETE VARIABLE REPRESENTATION PATH INTEGRAL MONTE CARLO WITH METROPOLIS SAMPLING TO COMPUTE GROUND STATE WAVEFUNCTIONS." Journal of Theoretical and Computational Chemistry 06, no. 02 (June 2007): 309–21. http://dx.doi.org/10.1142/s021963360700299x.
Full textPandey, Devashish, Enrique Colomés, Guillermo Albareda, and Xavier Oriols. "Stochastic Schrödinger Equations and Conditional States: A General Non-Markovian Quantum Electron Transport Simulator for THz Electronics." Entropy 21, no. 12 (November 25, 2019): 1148. http://dx.doi.org/10.3390/e21121148.
Full textScholten, R. E., T. J. O'Kane, T. R. Mackin, T. A. Hunt, and P. M. Farrell. "Calculating Trajectories for Atoms in Near-resonant Lightfields." Australian Journal of Physics 52, no. 3 (1999): 493. http://dx.doi.org/10.1071/ph99014.
Full textBonacina, L., F. Casagrande, and A. Lulli. "Dynamics of a coherently driven micromaser by the Monte Carlo wavefunction approach." Journal of Optics B: Quantum and Semiclassical Optics 2, no. 4 (July 4, 2000): 490–96. http://dx.doi.org/10.1088/1464-4266/2/4/306.
Full textMURAMATSU, A., G. ZUMBACH, and X. ZOTOS. "A GEOMETRICAL VIEW OF THE MINUS-SIGN PROBLEM." International Journal of Modern Physics C 03, no. 01 (February 1992): 185–93. http://dx.doi.org/10.1142/s0129183192000154.
Full textHuggins, William J., Bryan A. O’Gorman, Nicholas C. Rubin, David R. Reichman, Ryan Babbush, and Joonho Lee. "Unbiasing fermionic quantum Monte Carlo with a quantum computer." Nature 603, no. 7901 (March 16, 2022): 416–20. http://dx.doi.org/10.1038/s41586-021-04351-z.
Full textTRIVEDI, NANDINI, and J. K. JAIN. "NUMERICAL STUDY OF JASTROW-SLATER TRIAL STATES FOR THE FRACTIONAL QUANTUM HALL EFFECT." Modern Physics Letters B 05, no. 07 (March 20, 1991): 503–10. http://dx.doi.org/10.1142/s0217984991000599.
Full textZhou, Xiaojun, and Fan Wang. "Singlet–triplet gaps in diradicals obtained with diffusion quantum Monte Carlo using a Slater–Jastrow trial wavefunction with a minimum number of determinants." Physical Chemistry Chemical Physics 21, no. 36 (2019): 20422–31. http://dx.doi.org/10.1039/c9cp03045j.
Full textSorella, S. "MONTE CARLO STUDY OF ONE HOLE IN A QUANTUM ANTIFERROMAGNET." International Journal of Modern Physics B 06, no. 05n06 (March 1992): 587–88. http://dx.doi.org/10.1142/s0217979292000360.
Full textWolfseder, Brigitte, and Wolfgang Domcke. "Multi-mode vibronic coupling with dissipation. Application of the Monte Carlo wavefunction propagation method." Chemical Physics Letters 235, no. 3-4 (March 1995): 370–76. http://dx.doi.org/10.1016/0009-2614(95)00134-p.
Full textOhta, S., M. Nakano, R. Kishi, H. Takahashi, and S. Furukawa. "Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton–phonon coupling." Chemical Physics Letters 419, no. 1-3 (February 2006): 70–74. http://dx.doi.org/10.1016/j.cplett.2005.11.052.
Full textMedhi, Amal, Saurabh Basu, and C. Y. Kadolkar. "Stability of the Gutzwiller projected BCS wavefunction in t–J bilayers: A variational Monte Carlo study." Physica C: Superconductivity 451, no. 1 (January 2007): 13–18. http://dx.doi.org/10.1016/j.physc.2006.09.010.
Full textNakano, M., S. Ohta, R. Kishi, H. Takahashi, and S. Furukawa. "Monte Carlo wavefunction approach to the dissipative quantum-phase dynamics of two-component Bose-Einstein condensates." European Physical Journal D 38, no. 3 (March 14, 2006): 523–32. http://dx.doi.org/10.1140/epjd/e2006-00049-7.
Full textArisue, Hiroaki. "Monte Carlo measurement of the vacuum wavefunction for non-abelian gauge theory in D=3 dimensions." Physics Letters B 280, no. 1-2 (April 1992): 85–90. http://dx.doi.org/10.1016/0370-2693(92)90777-2.
Full textYanagisawa, T., M. Miyazaki, and K. Yamaji. "Strongly correlated superconductivity." International Journal of Modern Physics B 32, no. 17 (July 9, 2018): 1840023. http://dx.doi.org/10.1142/s0217979218400234.
Full textMEIR, YIGAL. "A VARIATIONAL GROUND-STATE FOR THE ν=2/3 FRACTIONAL QUANTUM HALL REGIME." International Journal of Modern Physics B 10, no. 12 (May 30, 1996): 1425–37. http://dx.doi.org/10.1142/s0217979296000544.
Full textDelle Site, Luigi. "Levy–Lieb principle: The bridge between the electron density of Density Functional Theory and the wavefunction of Quantum Monte Carlo." Chemical Physics Letters 619 (January 2015): 148–51. http://dx.doi.org/10.1016/j.cplett.2014.11.060.
Full textMancini, John S., and Joel M. Bowman. "Communication: A new ab initio potential energy surface for HCl–H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction." Journal of Chemical Physics 138, no. 12 (March 28, 2013): 121102. http://dx.doi.org/10.1063/1.4799231.
Full textHastings, Matthew B. "Obstructions to classically simulating the quantum adiabatic algorithm." Quantum Information and Computation 13, no. 11&12 (November 2013): 1038–76. http://dx.doi.org/10.26421/qic13.11-12-8.
Full textMølmer, Klaus, and Yvan Castin. "Monte Carlo wavefunctions in quantum optics." Quantum and Semiclassical Optics: Journal of the European Optical Society Part B 8, no. 1 (February 1996): 49–72. http://dx.doi.org/10.1088/1355-5111/8/1/007.
Full textWang, Ting, Xiaojun Zhou, and Fan Wang. "Performance of the Diffusion Quantum Monte Carlo Method with a Single-Slater-Jastrow Trial Wavefunction Using Natural Orbitals and Density Functional Theory Orbitals on Atomization Energies of the Gaussian-2 Set." Journal of Physical Chemistry A 123, no. 17 (April 5, 2019): 3809–17. http://dx.doi.org/10.1021/acs.jpca.9b01933.
Full textBueckert, Hartmut, Stuart M. Rothstein, and Jan Vrbik. "Optimization of quantum Monte Carlo wavefunctions using analytical derivatives." Canadian Journal of Chemistry 70, no. 2 (February 1, 1992): 366–71. http://dx.doi.org/10.1139/v92-052.
Full textAlexander, S. A., and R. L. Coldwell. "Visualizing molecular wavefunctions using Monte Carlo methods." International Journal of Quantum Chemistry 109, no. 3 (2009): 385–400. http://dx.doi.org/10.1002/qua.21774.
Full textScemama, Anthony, Thomas Applencourt, Emmanuel Giner, and Michel Caffarel. "Quantum Monte Carlo with very large multideterminant wavefunctions." Journal of Computational Chemistry 37, no. 20 (June 14, 2016): 1866–75. http://dx.doi.org/10.1002/jcc.24382.
Full textPer, Manolo C., and Deidre M. Cleland. "Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo." Journal of Chemical Physics 146, no. 16 (April 28, 2017): 164101. http://dx.doi.org/10.1063/1.4981527.
Full textBouabça, Thomas, Benoît Braïda, and Michel Caffarel. "Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo." Journal of Chemical Physics 133, no. 4 (July 28, 2010): 044111. http://dx.doi.org/10.1063/1.3457364.
Full textAcioli, Paulo H., L. S. Costa, and Frederico V. Prudente. "Quantum Monte Carlo study of rovibrational states utilizing rotating wavefunctions: Application to H2O." Journal of Chemical Physics 111, no. 14 (October 8, 1999): 6311–15. http://dx.doi.org/10.1063/1.479935.
Full textSabzevari, Iliya, Ankit Mahajan, and Sandeep Sharma. "An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo." Journal of Chemical Physics 152, no. 2 (January 14, 2020): 024111. http://dx.doi.org/10.1063/1.5125803.
Full textZhang, Feng, Zhuo Ye, Yong-Xin Yao, Cai-Zhuang Wang, and Kai-Ming Ho. "A random-sampling method as an efficient alternative to variational Monte Carlo for solving Gutzwiller wavefunctions." Journal of Physics Communications 5, no. 12 (December 1, 2021): 125003. http://dx.doi.org/10.1088/2399-6528/ac3c32.
Full textMilotti, Edoardo, Sergio Bartalucci, Sergio Bertolucci, Massimiliano Bazzi, Mario Bragadireanu, Michael Cargnelli, Alberto Clozza, et al. "Semi-Analytical Monte Carlo Method to Simulate the Signal of the VIP-2 Experiment." Symmetry 13, no. 1 (December 22, 2020): 6. http://dx.doi.org/10.3390/sym13010006.
Full textKelsall, R. W. "Monte Carlo Simulations of Intersubband Hole Relaxation in a GaAs/AlAs Quantum Well." VLSI Design 8, no. 1-4 (January 1, 1998): 367–73. http://dx.doi.org/10.1155/1998/87925.
Full textBressanini, Dario, Massimo Mella, and Gabriele Morosi. "Many-electron correlated exponential wavefunctions. A quantum Monte Carlo application to H2 and He2+." Chemical Physics Letters 240, no. 5-6 (July 1995): 566–70. http://dx.doi.org/10.1016/0009-2614(95)00561-h.
Full textMorf, R., and B. I. Halperin. "Monte Carlo evaluation of trial wavefunctions for the fractional quantized Hall effect: Spherical geometry." Zeitschrift f�r Physik B Condensed Matter 68, no. 2-3 (June 1987): 391–406. http://dx.doi.org/10.1007/bf01304256.
Full textGreensite, J., and J. Iwasaki. "Monte Carlo study of the Yang-Mills vacuum wavefunctional in D=4 dimensions." Physics Letters B 223, no. 2 (June 1989): 207–12. http://dx.doi.org/10.1016/0370-2693(89)90240-2.
Full textKohno, Masanori, and Masatoshi Imada. "Systematic improvement of wavefunctions in the variational Monte Carlo method for the t–J model." Journal of Physics and Chemistry of Solids 63, no. 6-8 (June 2002): 1563–66. http://dx.doi.org/10.1016/s0022-3697(02)00047-1.
Full textJuillet, Olivier, Alexandre Leprévost, Jérémy Bonnard, and Raymond Frésard. "Phaseless quantum Monte-Carlo approach to strongly correlated superconductors with stochastic Hartree–Fock–Bogoliubov wavefunctions." Journal of Physics A: Mathematical and Theoretical 50, no. 17 (March 29, 2017): 175001. http://dx.doi.org/10.1088/1751-8121/aa62b6.
Full textPREDESCU, CRISTIAN. "SPATIALLY-DISCRETIZED HIGH-TEMPERATURE APPROXIMATIONS AND THEIR O(N) IMPLEMENTATION ON A GRID." Journal of Theoretical and Computational Chemistry 05, no. 02 (June 2006): 255–80. http://dx.doi.org/10.1142/s0219633606002246.
Full textPeng, Yun, Xiaojun Zhou, Zhifan Wang, and Fan Wang. "Diffusion Monte Carlo method on small boron clusters using single- and multi- determinant–Jastrow trial wavefunctions." Journal of Chemical Physics 154, no. 2 (January 14, 2021): 024301. http://dx.doi.org/10.1063/5.0031051.
Full textBertini, Luca, Massimo Mella, Dario Bressanini, and Gabriele Morosi. "Explicitly correlated trial wavefunctions in quantum Monte Carlo calculations of excited states of Be and Be-." Journal of Physics B: Atomic, Molecular and Optical Physics 34, no. 3 (January 18, 2001): 257–66. http://dx.doi.org/10.1088/0953-4075/34/3/304.
Full textClay, Raymond C., and Miguel A. Morales. "Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo." Journal of Chemical Physics 142, no. 23 (June 16, 2015): 234103. http://dx.doi.org/10.1063/1.4921984.
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