Open AccessBasis Set Dependency of Energy Components in Hartree-Fock MO Theories. II. Conservability of Virial Ratio between Different Conformations
Author(s) -
Hiroshi Ichikawa,
Atsushi Shigihara
Publication year - 1988
Publication title -
bulletin of the chemical society of japan
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.145
H-Index - 99
eISSN - 1348-0634
pISSN - 0009-2673
DOI - 10.1246/bcsj.61.1837
Subject(s) - chemistry , virial coefficient , dependency (uml) , virial theorem , hartree–fock method , basis (linear algebra) , basis set , thermodynamics , computational chemistry , mathematical physics , quantum mechanics , density functional theory , physics , mathematics , galaxy , geometry , systems engineering , engineering
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