Accession Number : AD0625213

Title :   THE INDEPENDENT PARTICLE MODEL FOR MANYELECTRON SYSTEM. II. SYMMETRY PROPERTIES AND CRITERIA FOR THE VALIDITY OF THE INDEPENDENT PARTICLE MODEL.

Descriptive Note : Scientific rept.,

Corporate Author : UPPSALA UNIV (SWEDEN) QUANTUM CHEMISTRY GROUP

Personal Author(s) : Kutzelnigg,Werner ; Smith,Vedene H. ,Jr.

Report Date : 01 NOV 1964

Pagination or Media Count : 38

Abstract : Contents: Symmetry and orthogonality properties of the orbitals (Symmetry of the 'best density' approximation, Definition and properties of 'open' and 'closed shell' states, The principle of doubly filled orbitals and its limitations, Symmetry of the 'best energy' approximation, Symmetry of the 'best overlap' approximation); Conditions for the validity of the independent particle model (Comparison with the true first order density matrix, Overlap with the true wave funtion, The independent particle model for closed and open shell states); On localized orbitals (Localizability and independence of quantum mechanical systems, Definition of 'localized orbitals').

Descriptors :   (*ATOMIC ORBITALS, MATHEMATICAL MODELS), (*MOLECULAR ORBITALS, MATHEMATICAL MODELS), ELECTRONS, QUANTUM THEORY, DENSITY, ATOMIC ENERGY LEVELS, WAVE FUNCTIONS, SWEDEN

Subject Categories : Atomic and Molecular Physics and Spectroscopy
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE