Published September 1987 | Version v1
Journal article Metadata-only

Universal gaussian and Slater-type basis sets for atoms He to Ar based on an integral version of the Hartree-Fock equations

Creators

  • 1. Sao Paulo Univ., Sao Carlos, SP (Brazil). Inst. de Fisica e Quimica
  • 2. Minas Gerais Univ., Belo Horizonte (Brazil). Inst. de Ciencias Exatas

Description

The Griffin-Hill-Wheeler-Hartree-Fock equations are applied to generate universal gaussian and Slater-type basis sets for the title atoms. The results for the energies compare competitively with atom-optimized calculations at a very low computational cost. (author)

Additional details

Publishing Information

Journal Title
Mol. Phys.
Journal Volume
62
Journal Issue
1
Series
Mol. Phys.
Journal Page Range
91-95
ISSN
0026-8976
CODEN
MOPHA

INIS

Country of Publication
United Kingdom
Country of Input or Organization
United Kingdom
INIS RN
19006426
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ALUMINIUM; ARGON; BERYLLIUM; BORON; CARBON; CHLORINE; FLUORINE; GAUSS FUNCTION; GROUND STATES; HARTREE-FOCK METHOD; HELIUM; LITHIUM; MAGNESIUM; NEON; NITROGEN; NUMERICAL SOLUTION; OXYGEN; PHOSPHORUS; SILICON; SLATER METHOD; SODIUM; SULFUR
Descriptors DEC
ALKALI METALS; ALKALINE EARTH METALS; ELEMENTS; ENERGY LEVELS; FUNCTIONS; HALOGENS; METALS; NONMETALS; RARE GASES; SEMIMETALS