A direct implementation of the second-order derivatives of multiconfigurational SCF energies and an analysis of the preconditioning in the associated response equation
Bernhardsson, Anders, Lindh, Roland, Olsen, Jeppe, Fulscher, MarkusVolume:
96
Language:
english
Journal:
Molecular Physics
DOI:
10.1080/00268979909482998
Date:
February, 1999
File:
PDF, 1.13 MB
english, 1999