DOI: 10.1063/1.443612. A new look at correlation energy in atomic and molecular systems. II. The application of the Green’s function Monte Carlo method to LiH

A new look at correlation energy in atomic and molecular systems. II. The application of the Green’s function Monte Carlo method to LiH

10.1063/1.443612

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The potential energy surface of the LiH molecule is calculated using the Green’s function Monte Carlo method. The calculated correlation energy is 0.078±0.001 hartree and the binding energy is 2.56 eV. These results are within 6% and 2% of the experimental values, respectively. The Green’s function Monte Carlo method is discussed in some detail with particular emphasis on problems of chemical interest.

Bibliography

Moskowitz, J. W., Schmidt, K. E., Lee, M. A., & Kalos, M. H. (1982). A new look at correlation energy in atomic and molecular systems. II. The application of the Greenâs function Monte Carlo method to LiH. The Journal of Chemical Physics, 77(1), 349â355.

Authors 4

Jules W. Moskowitz (first)
K. E. Schmidt (additional)
Michael A. Lee (additional)
M. H. Kalos (additional)

References 25 Referenced 197

{'key': '2024020922215821500_r1'}
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{'key': '2024020922215821500_r8'}
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Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 11:32 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:01 p.m.)
Indexed	1 month ago (Aug. 2, 2025, 1:20 a.m.)
Issued	43 years, 2 months ago (July 1, 1982)
Published	43 years, 2 months ago (July 1, 1982)
Published Print	43 years, 2 months ago (July 1, 1982)

Funders 0

None

BibTeX

@article{Moskowitz_1982, title={A new look at correlation energy in atomic and molecular systems. II. The application of the Green’s function Monte Carlo method to LiH}, volume={77}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.443612}, DOI={10.1063/1.443612}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Moskowitz, Jules W. and Schmidt, K. E. and Lee, Michael A. and Kalos, M. H.}, year={1982}, month=jul, pages={349–355} }

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