DOI: 10.1063/1.445601. An iterative scheme for the evaluation of discretized path integrals

An iterative scheme for the evaluation of discretized path integrals

10.1063/1.445601

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A simple iterative scheme which greatly facilitates the evaluation of discretized path integrals is presented. The method is applied to study the motion of a proton in a bistable potential and the resulting configurational distribution function is compared to both the path integral Monte Carlo calculation and to the ‘‘exact’’ result. As a second illustration we present calculations of the radial distribution function for an Ar2 van der Waals dimer at two temperatures.

Bibliography

Thirumalai, D., Bruskin, E. J., & Berne, B. J. (1983). An iterative scheme for the evaluation of discretized path integrals. The Journal of Chemical Physics, 79(10), 5063â5069.

Authors 3

Devarajan Thirumalai (first)
Eric J. Bruskin (additional)
Bruce J. Berne (additional)

References 13 Referenced 187

10.1063/1.441588 / J. Chem. Phys. (1981)
10.1063/1.442141 / J. Chem. Phys. (1981)
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10.1063/1.443081 / J. Chem. Phys. (1982)
10.1063/1.444016 / J. Chem. Phys. (1982)
{'key': '2024021000155015400_r1e'}
10.1063/1.445597 / J. Chem. Phys. (1983)
10.1063/1.437829 / J. Chem. Phys. (1979)
{'key': '2024021000155015400_r4', 'first-page': '5150', 'volume': '78', 'year': '1982', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1982)
{'key': '2024021000155015400_r5'}
10.1016/0301-0104(78)87034-7 / Chem. Phys. (1978)
{'key': '2024021000155015400_r7'}
{'key': '2024021000155015400_r8'}

Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 12:03 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:39 p.m.)
Indexed	1 year ago (Aug. 7, 2024, 10:52 p.m.)
Issued	41 years, 9 months ago (Nov. 15, 1983)
Published	41 years, 9 months ago (Nov. 15, 1983)
Published Print	41 years, 9 months ago (Nov. 15, 1983)

Funders 0

None

BibTeX

@article{Thirumalai_1983, title={An iterative scheme for the evaluation of discretized path integrals}, volume={79}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.445601}, DOI={10.1063/1.445601}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Thirumalai, Devarajan and Bruskin, Eric J. and Berne, Bruce J.}, year={1983}, month=nov, pages={5063–5069} }

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