[molpro-user] Closed-shell CCSD code

Ugur Bozkaya ugrbzky at gmail.com
Sun Jul 19 11:49:57 BST 2015


Does the closed-shell CCSD code use the density fitting approximation for
integrals (fully or partially) to speed up computations?


Assoc. Prof. Ugur Bozkaya
Department of Chemistry,
Ataturk University,
25240 Erzurum, Turkey,
Tel: +90 442 231 41 14,
E-mail: ugrbzky at gmail.com,
ugur.bozkaya at atauni.edu.tr.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20150719/3560bb95/attachment.html>

More information about the Molpro-user mailing list