Published December 1983 | Version v1
Journal article Metadata-only

Ground-state properties of Ag2: A local-density pseudopotential approach

Creators

  • 1. Institut de Physique Experimentale, Ecole Polytechnique Federale de Lausanne, PHB-Ecublens, CH-1015 Lausanne, Switzerland

Description

The local-density approximation of the density-functional theory is applied to calculate the ground-state properties of Ag2, within the framework of the pseudopotential method. The calculated values of the bond length and the harmonic vibrational frequency are in good agreement with experiment. The bonding properties are found to be influenced by the d-electron states in a significant way. The results are compared with those of configuration-interaction calculations

Additional details

Publishing Information

Journal Title
Phys. Rev., A
Journal Volume
28
Journal Issue
6
Series
Phys. Rev., A.
Journal Page Range
3637-3639
ISSN
0556-2791

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
15044832
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
BOND LENGTHS; COMPACTING; D STATES; DIMERS; ELECTRON DENSITY; GROUND STATES; MOLECULAR STRUCTURE; SILVER
Descriptors DEC
ELEMENTS; ENERGY LEVELS; FABRICATION; METALS; TRANSITION ELEMENTS