다음과 같은 기능을 한번의 로그인으로 사용 할 수 있습니다.
NTIS 바로가기
Journal of physics B, Atomic, molecular, and optical physics, v.34 no.3, 2001년, pp.257 - 266
Bertini, Luca , Mella, Massimo , Bressanini, Dario , Morosi, Gabriele
AI-Helper
We present a new form of explicitly correlated wavefunction whose parameters are mainly linear, to circumvent the problem of the optimization of a large number of nonlinear parameters usually encountered with basis sets of explicitly correlated wavefunctions. With this trial wavefunction we have su...
1957 10.1002/cpa.3160100201 10 151 0010-3640 Commun. Pure Appl. Math. Kato T
1929 10.1007/BF01375457 54 347 0044-3328 Z. Phys. Hylleraas E A
Pekeris, C. L.. Ground State of Two-Electron Atoms. Physical review, vol.112, no.5, 1649-1658.
1933 10.1063/1.1749252 1 825 0021-9606 J. Chem. Phys. James H M
1968 10.1063/1.1669836 49 404 0021-9606 J. Chem. Phys. Kolos W
1964 10.1063/1.1725796 41 3663 0021-9606 J. Chem. Phys. Kolos W
1965 10.1063/1.1697142 43 2429 0021-9606 J. Chem. Phys. Kolos W
Novoselsky, Akiva, Katriel, Jacob. Hyperspherical functions with arbitrary permutational symmetry. Physical review. A. Atomic, molecular, and optical physics, vol.49, no.2, 833-846.
Heim, Thomas A., Green, Dmitry. Alternative sets of hyperspherical harmonics: Satisfying cusp conditions through frame transformations. Journal of mathematical physics, vol.40, no.4, 2162-2180.
1999 173 Rychlewski J
10.1002/(SICI)1097-461X(1999)74:1 3.0.CO;2-2
1994 Hammond B L
1990 283 Lester W A Jr
1953 10.1063/1.1699114 21 1087 0021-9606 J. Chem. Phys. Metropolis N
Reynolds, Peter J., Ceperley, David M., Alder, Berni J., Lester Jr., William A.. Fixed-node quantum Monte Carlo for moleculesa) b). The Journal of chemical physics, vol.77, no.11, 5593-5603.
Jastrow, Robert. Many-Body Problem with Strong Forces. Physical review, vol.98, no.5, 1479-1484.
1975 10.1063/1.431514 60 1499 0021-9606 J. Chem. Phys. Anderson J B
Bressanini, Dario, Mella, Massimo, Morosi, Gabriele. Many-electron correlated exponential wavefunctions. A quantum Monte Carlo application to H2 and He2+. Chemical physics letters, vol.240, no.5, 566-570.
Bressanini, Dario, Mella, Massimo, Morosi, Gabriele. Nonadiabatic wavefunctions as linear expansions of correlated exponentials. A quantum Monte Carlo application to H2+ and Ps2. Chemical physics letters, vol.272, no.5, 370-375.
1995 10.1103/PhysRevA.52.R898 52 R898 0556-2791 Phys. Rev. Hsu J-J
1995 10.1088/0031-8949/52/6/008 52 654 0031-8949 Phys. Scr. Zhu X W
Patil, S. H., Tang, K. T., Toennies, J. P.. Boundary condition determined wave functions for the ground states of one- and two-electron homonuclear molecules. The Journal of chemical physics, vol.111, no.16, 7278-7289.
Grossman, Jeffrey C., Mitas, Lubos, Raghavachari, Krishnan. Structure and Stability of Molecular Carbon: Importance of Electron Correlation. Physical review letters, vol.75, no.21, 3870-3873.
Filippi, Claudia, Umrigar, C. J.. Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic molecules. The Journal of chemical physics, vol.105, no.1, 213-226.
Schmidt, K. E., Moskowitz, J. W.. Correlated Monte Carlo wave functions for the atoms He through Ne. The Journal of chemical physics, vol.93, no.6, 4172-4178.
1964 10.1063/1.1725893 41 478 0021-9606 J. Chem. Phys. Frost A A
1964 10.1063/1.1726068 41 1327 0021-9606 J. Chem. Phys. Conroy H
Umrigar, C. J., Wilson, K. G., Wilkins, J. W.. Optimized trial wave functions for quantum Monte Carlo calculations. Physical review letters, vol.60, no.17, 1719-1722.
Mushinski, Andrei, Nightingale, M.P.. Many-body trial wave functions for atomic systems and ground states of small noble gas clusters. The Journal of chemical physics, vol.101, no.10, 8831-8841.
Umrigar, C. J., Nightingale, M. P., Runge, K. J.. A diffusion Monte Carlo algorithm with very small time-step errors. The Journal of chemical physics, vol.99, no.4, 2865-2890.
1995 10.1103/PhysRevA.52.R2508 52 R2508 0556-2791 Phys. Rev. Kristensen P
해당 논문의 주제분야에서 활용도가 높은 상위 5개 콘텐츠를 보여줍니다.
더보기 버튼을 클릭하시면 더 많은 관련자료를 살펴볼 수 있습니다.
Copyright KISTI. All Rights Reserved.
※ AI-Helper는 부적절한 답변을 할 수 있습니다.