Back to Search Start Over

Comment.

Authors :
Handy, Nicholas C.
Source :
Molecular Physics; 1/10/2002, Vol. 100 Issue 1, p63-63, 1p
Publication Year :
2002

Abstract

Comments on the calculation of molecular interactions by the differences of separate total energies. Inapplicable to Density Functional code in constructing the Kohn-Sham matrix; Unavailable supporting calculations for the justification of the idea on 'Function Counterpoise'; Unpublished subsequent paper showing an improvement in the binding energy.

Subjects

Subjects :
MOLECULES
DENSITY functionals
BINDING energy

Details

Language :
English
ISSN :
00268976
Volume :
100
Issue :
1
Database :
Complementary Index
Journal :
Molecular Physics
Publication Type :
Academic Journal
Accession number :
5743978
Full Text :
https://doi.org/10.1080/00268970110088893
Full Text Access
View/download PDF

Tools

Authors Abstract Subjects Details