DOI: 10.1063/1.454853. Inherent structure formalism for quantum systems

Inherent structure formalism for quantum systems

10.1063/1.454853

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A theoretical procedure in classical statistical mechanics, using configurational mapping to distinguish particle packing effects from vibrational smearing effects, has previously been developed for understanding short-range order in condensed phases. The present paper exhibits the generalization to quantum systems with arbitrary spin, but with spin-independent Hamiltonians. Remarks are included indicating how the popular path-integral Monte Carlo method for simulating quantal many-body systems via digital computer can be adapted to determine inherent packing structure. It is predicted that quantum effects in both liquid and solid phases tend to produce inherent structures that are more porous, defective, and higher in energy than their classical counterparts.

Bibliography

Stillinger, F. H. (1988). Inherent structure formalism for quantum systems. The Journal of Chemical Physics, 89(7), 4180â4184.

Authors 1

Frank H. Stillinger (first)

References 30 Referenced 21

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:12 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 3:31 a.m.)
Indexed	1 year, 5 months ago (March 12, 2024, 4:31 a.m.)
Issued	36 years, 11 months ago (Oct. 1, 1988)
Published	36 years, 11 months ago (Oct. 1, 1988)
Published Print	36 years, 11 months ago (Oct. 1, 1988)

Funders 0

None

BibTeX

@article{Stillinger_1988, title={Inherent structure formalism for quantum systems}, volume={89}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.454853}, DOI={10.1063/1.454853}, number={7}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Stillinger, Frank H.}, year={1988}, month=oct, pages={4180–4184} }

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