Published December 15, 1975 | Version v1
Journal article

Uniform semiclassical approximation to the electron density distribution

  • 1. The Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637

Description

The single particle reduced density matrices for fermions in a linear potential in one and three dimensions are derived. An idempotent reduced density matrix for a nonuniform field with a single turning point is obtained. The density expression contains the contributions from the direct path and the path with one turning point. When applied to a potential well the corrections from the long-time paths are taken from the theory of Light and Yuan. Only classical quantities of momentum, time, and action enter in the final expression. The density distribution for the nonclassical region is more accurate than that given by the formula of Light and Yuan

Additional details

Identifiers

Publishing Information

Journal Title
The Journal of Chemical Physics
Journal Volume
63
Journal Issue
12
Series
J. Chem. Phys.
Journal Page Range
5274-5282
ISSN
0021-9606

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
7245362
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; DENSITY MATRIX; ELECTRONIC STRUCTURE; FERMIONS; INTEGRALS; ONE-DIMENSIONAL CALCULATIONS; QUANTUM MECHANICS; SEMICLASSICAL APPROXIMATION; THREE-DIMENSIONAL CALCULATIONS
Descriptors DEC
MATRICES; MECHANICS

Optional Information

Notes
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