Journal article

CALCULATION OF EXPECTATION VALUES OF MOLECULAR-SYSTEMS USING DIFFUSION MONTE-CARLO IN CONJUNCTION WITH THE FINITE-FIELD METHOD

Abstract:: A scheme employing the finite field method is proposed for extracting expectation values of molecular properties from diffusion Monte Carlo calculations. The method enables calculation of expectation values of nonlocal operators, such as kinetic energies of molecular components of the system. The method is demonstrated for the H2O⋯N2 cluster. © 1994 American Institute of Physics.

Publication status:: Published

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APA Style

Sandler, P., Buch, V., & Clary, D. (1994). CALCULATION OF EXPECTATION VALUES OF MOLECULAR-SYSTEMS USING DIFFUSION MONTE-CARLO IN CONJUNCTION WITH THE FINITE-FIELD METHOD. JOURNAL OF CHEMICAL PHYSICS, 101(7), 6353–6355.

MLA Style

Sandler, P, et al. “CALCULATION OF EXPECTATION VALUES OF MOLECULAR-SYSTEMS USING DIFFUSION MONTE-CARLO IN CONJUNCTION WITH THE FINITE-FIELD METHOD.” JOURNAL OF CHEMICAL PHYSICS, vol. 101, no. 7, 1994, pp. 6353–55.

Chicago Style

Sandler, P, V Buch, and D Clary. 1994. “CALCULATION OF EXPECTATION VALUES OF MOLECULAR-SYSTEMS USING DIFFUSION MONTE-CARLO IN CONJUNCTION WITH THE FINITE-FIELD METHOD.” JOURNAL OF CHEMICAL PHYSICS 101 (7): 6353–55.
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Publisher copy:: 10.1063/1.468388

Authors

+ Sandler, P More by this author

Role:: Author

+ Buch, V More by this author

Role:: Author

+ Clary, D More by this author

Role:: Author

Journal:: JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:: 101
Issue:: 7
Pages:: 6353-6355
Publication date:: 1994-10-01
DOI:: 10.1063/1.468388
ISSN:: 0021-9606

Language:: English
Pubs id:: pubs:52995
UUID:: uuid:17ae9e2d-efc6-48eb-be96-4b67f256a678
Local pid:: pubs:52995
Source identifiers:: 52995
Deposit date:: 2013-11-17
ARK identifier:: ark:/29072/ora_17ae9e2defc648ebbe964b67f256a678

Terms of use

Copyright date:: 1994

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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