Published October 1986 | Version v1
Journal article

Correlation energy in the He atom by Fulde's local approach

Creators

  • 1. Genoa Univ. (Italy). Dept. of Physics

Description

In the framework of calculations of electronic correlation energies some considerations are made on Fulde's Linearized Local Approach with emphasis on the comparison with the usual C.I. techniques. The particular rules proposed by Fulde in terms of the second quantization formalism to eliminate single excitation effects are analyzed and the equivalent C.I. wavefuntion is derived. Subsequently one presents the results of some computations of the correlation energy in the ground state of the He atom within the Local Approach and with a S.T.O. basis and one compares these results to the corresponding calculations performed by Fulde with a G.T.O. basis. Our results are slightly better than Fulde's because we have tried to optimize the ''regions'' and we have also frequently considered density-density correlations between different regions. The effectiveness of the Local Approach is confirmed provided that an optimized, or at least reasonable, choice of the ''regions'' is performed

Additional details

Publishing Information

Journal Title
J. Phys. (Les Ulis)
Journal Volume
47
Journal Issue
10
Series
J. Phys. (Les Ulis).
Journal Page Range
1775-1783
ISSN
0302-0738
CODEN
JOPQA

INIS

Country of Publication
France
Country of Input or Organization
France
INIS RN
18043272
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMS; CONFIGURATION INTERACTION; ELECTRON CORRELATION; HELIUM; SECOND QUANTIZATION; SLATER METHOD; WAVE FUNCTIONS
Descriptors DEC
CORRELATIONS; ELEMENTS; FUNCTIONS; NONMETALS; QUANTIZATION; RARE GASES