DOI: 10.1063/1.463076. A new quantum propagator for hard sphere and cavity systems

A new quantum propagator for hard sphere and cavity systems

10.1063/1.463076

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A new short time propagator for a particle interacting with a hard sphere or with a hard sphere cavity is derived. This new propagator is shown to be a much better approximation than the image approximations used in the literature and should prove useful for path integral or Green function Monte Carlo simulations. The simple example of the radial distribution function of a hard sphere gas is calculated using the new propagator as well as the older image approximation propagator and is shown to converge much more rapidly to the ab initio result.

Bibliography

Cao, J., & Berne, B. J. (1992). A new quantum propagator for hard sphere and cavity systems. The Journal of Chemical Physics, 97(4), 2382â2385.

Authors 2

J. Cao (first)
B. J. Berne (additional)

References 9 Referenced 58

10.1146/annurev.pc.37.100186.002153 / Ann. Rev. Phys. Chem. (1986)
10.1063/1.437829 / J. Chem. Phys. (1979)
{'key': '2024021013134976500_r3', 'first-page': '3051', 'volume': '76', 'year': '1983', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1983)
10.1103/PhysRevB.31.4234 / Phys. Rev. B (1985)
10.1103/PhysRevB.40.571 / Phys. Rev. B (1989)
{'key': '2024021013134976500_r6', 'first-page': '729', 'volume': '3', 'year': '1936', 'journal-title': 'Phys. Fenn.'} / Phys. Fenn. (1936)
10.1016/0021-9991(79)90121-9 / J. Comput. Phys. (1979)
{'key': '2024021013134976500_r8'}
10.1063/1.1668897 / J. Chem. Phys. (1968)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 9:51 a.m.)
Indexed	1 year, 1 month ago (July 27, 2024, 9:33 p.m.)
Issued	33 years ago (Aug. 15, 1992)
Published	33 years ago (Aug. 15, 1992)
Published Print	33 years ago (Aug. 15, 1992)

Funders 0

None

BibTeX

@article{Cao_1992, title={A new quantum propagator for hard sphere and cavity systems}, volume={97}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.463076}, DOI={10.1063/1.463076}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Cao, J. and Berne, B. J.}, year={1992}, month=aug, pages={2382–2385} }

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