Published December 15, 1975
| Version v1
Journal article
Uniform semiclassical approximation to the electron density distribution
Creators
- 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
- DOI
- 10.1063/1.431327;
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
- Updated automatically by Metadata and Full-Text Enrichment Agent