ANALYTIC GRADIENTS IN THE IMPROVED BCS METHOD

Authors
PIRIS M
Citation
M. Piris, ANALYTIC GRADIENTS IN THE IMPROVED BCS METHOD, Journal of mathematical chemistry, 23(3-4), 1998, pp. 399-404
Citations number
24
Categorie Soggetti
Chemistry,Mathematics
Journal title
Journal of mathematical chemistry → ACNP
ISSN journal
02599791
Volume
23
Issue
3-4
Year of publication
1998
Pages
399 - 404
Database
ISI
SICI code
0259-9791(1998)23:3-4<399:AGITIB>2.0.ZU;2-8
Abstract
The first derivatives of the total energy with respect to nuclear disp lacement have been calculated in the framework of the Improved Bardeen -Cooper-Schrieffer (IBCS) method. It permits the quick determination o f the stationary points.