Published November 1, 1979 | Version v1
Journal article

Finite-field MC SCF study of the hydrogen molecule polarizability

  • 1. Polska Akademia Nauk, Warsaw. Inst. Chemii Organicznej
  • 2. Kemicentrum, Lund (Sweden)

Description

The polarizability of the H2 molecule is computed using the finite-field method and relatively simple multiconfiguration SCF wavefunctions. Analysing the dependence of the polarizability on the internuclear distance it is shown that within the chosen approximation the correlation contributions to the polarizability can be estimated when they become significant. (Auth.)

Additional details

Publishing Information

Journal Title
Chem. Phys. Lett.
Journal Volume
67
Journal Issue
1
Series
Chem. Phys. Lett.
Journal Page Range
189-191
ISSN
0009-2614

INIS

Country of Publication
Netherlands
Country of Input or Organization
Netherlands
INIS RN
11532650
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
HYDROGEN; INTERATOMIC DISTANCES; MOLECULES; PERTURBATION THEORY; POLARIZABILITY; SELF-CONSISTENT FIELD; WAVE FUNCTIONS
Descriptors DEC
DISTANCE; ELECTRICAL PROPERTIES; ELEMENTS; FUNCTIONS; NONMETALS; PHYSICAL PROPERTIES