DOI: 10.1063/1.463572. Treatment of rigid bodies by diffusion Monte Carlo: Application to the para-H2⋅⋅⋅H2O and ortho-H2⋅⋅⋅H2O clusters

Treatment of rigid bodies by diffusion Monte Carlo: Application to the para-H2⋅⋅⋅H2O and ortho-H2⋅⋅⋅H2O clusters

10.1063/1.463572

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Application of the diffusion Monte Carlo method is discussed for ground states of molecular systems in which molecules are treated as rigid bodies. The method is applied to the investigation of the para-H2...H2O and ortho-H2...H2O clusters. Significant differences are demonstrated in the bonding of para-H2 and ortho-H2 to the water molecule.

Bibliography

Buch, V. (1992). Treatment of rigid bodies by diffusion Monte Carlo: Application to the para-H2âââH2O and ortho-H2âââH2O clusters. The Journal of Chemical Physics, 97(1), 726â729.

Authors 1

V. Buch (first)

References 13 Referenced 187

10.1063/1.431514 / J. Chem. Phys. (1975)
10.1063/1.432868 / J. Chem. Phys. (1976)
10.1016/0370-1573(91)90136-A / Phys. Reports (1991)
{'key': '2024021012453693800_r2'}
{'key': '2024021012453693800_r3'}
10.1021/j100367a030 / J. Phys. Chem. (1990)
10.1063/1.461119 / J. Chem. Phys. (1991)
{'key': '2024021012453693800_r5a'}
10.1063/1.456101 / J. Chem. Phys. (1989)
10.1021/j100372a014 / J. Phys. Chem. (1990)
10.1063/1.462645 / J. Chem. Phys. (1992)
10.1080/00268978600101841 / Mol. Phys. (1986)
10.1063/1.451705 / J. Chem. Phys. (1986)

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, 9:23 a.m.)
Indexed	3 weeks, 3 days ago (Aug. 2, 2025, 12:49 a.m.)
Issued	33 years, 1 month ago (July 1, 1992)
Published	33 years, 1 month ago (July 1, 1992)
Published Print	33 years, 1 month ago (July 1, 1992)

Funders 0

None

BibTeX

@article{Buch_1992, title={Treatment of rigid bodies by diffusion Monte Carlo: Application to the para-H2⋅⋅⋅H2O and ortho-H2⋅⋅⋅H2O clusters}, volume={97}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.463572}, DOI={10.1063/1.463572}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Buch, V.}, year={1992}, month=jul, pages={726–729} }

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