Published June 1995 | Version v1
Journal article Metadata-only

Multiconfiguration-Hartree-Fock calculations for the electron affinity of boron

Creators

  • 1. Computer Science Department, Box 1679 B, Vanderbilt University, Nashville, Tennessee 37235 (United States)
  • 2. Institute of Theoretical Physics and Astronomy, A. Gostauto 12, Vilnius 2600 (Lithuania)

Description

Systematic multiconfiguration-Hartree-Fock procedures are applied to the study of the electron affinity of boron. For a valence correlation calculation, an electron affinity of 273.2(2) meV is obtained, which is reduced by 1.1 meV by a relativistic correction. Core polarization and core rearrangement were found to increase the electron affinity to 279.5(20) meV. The latter agrees well with the experimental value of 277(10) meV. Results are compared also with other theories

Additional details

Publishing Information

Journal Title
Physical Review. A
Journal Volume
51
Journal Issue
6
Journal Page Range
p. 4611-4616.
ISSN
1050-2947
CODEN
PLRAAN

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
26064985
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
AFFINITY; BORON; COMPUTER CALCULATIONS; CORRELATIONS; ENERGY LEVELS; EXCITED STATES; HARTREE-FOCK METHOD; RELATIVITY THEORY
Descriptors DEC
CALCULATION METHODS; ELEMENTS; FIELD THEORIES; SEMIMETALS