Published 1990 | Version v1
Journal article Metadata-only

The general MCSCF method with full symmetry reduction

Creators

  • 1. Delaware Univ., Newark, DE (USA). Dept. of Physics
  • 2. Chicago Univ., IL (USA). Dept. of Physics
  • 3. Chicago Univ., IL (USA). Dept. of Chemistry

Description

A general multi-configuration self-consistent field (MCSCF) model is presented. The model permits the determination of wavefunctions for a collection of different physical states, achieves all possible group-theoretical reductions, and exhibits quadratic convergence. 19 refs

Additional details

Publishing Information

Journal Title
Australian Journal of Physics
Journal Volume
43
Journal Issue
4,5
Series
Aust. J. Phys.
Journal Page Range
439-442
ISSN
0004-9506
CODEN
AUJPA

Conference

Title
Interfaces in molecular, electron and surface physics workshop.
Dates
4-7 Feb 1990.
Place
Fremantle (Australia).

INIS

Country of Publication
Australia
Country of Input or Organization
Australia
INIS RN
22035554
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CONFIGURATION INTERACTION; EXCITED STATES; GROUND STATES; IRREDUCIBLE REPRESENTATIONS; MATRIX ELEMENTS; SELF-CONSISTENT FIELD; SYMMETRY GROUPS; WAVE FUNCTIONS
Descriptors DEC
ENERGY LEVELS; FUNCTIONS