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Cited by 270

The DOI matches its Crossref record; 20 of the 20 references it cites were found in a registry or an index.

Time-dependent self-consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments

Makri, Nancy, Miller, William H.·1987·The Journal of Chemical Physics
DOI 10.1063/1.453501
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Abstract

This paper explores the usefulness of the time-dependent self-consistent field (TDSCF) approximation for treating the dynamics of a reaction coordinate coupled to a bath of harmonic degrees of freedom. The reaction coordinate is a one-dimensional double well potential, typical of a hydrogen atom isomerization process. The standard (i.e., one configuration) TDSCF approximation is found to provide a very poor description of the effect of coupling to the bath on the isomerization rate. A multiconfiguration (MC-TDSCF) treatment is thus developed and found to provide a much improved description.

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Metadata

Authors
Makri, N., & Miller, W. H.
Venue
The Journal of Chemical Physics
Publisher
AIP Publishing
Published
1987-11-15
Volume
87
Issue
10
Pages
5781-5787
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
DOI
10.1063/1.453501
OpenAlex
W1975532414
Cited by
270
References
20
FWCI
8.14
Type
journal article
Language
en
Open access
closed

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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.