Posted by pawel wielgus on November 22, 2005 at 11:12:36:
Hello,
is there any simple way to print to file one- and two-electron reduced density matrices?
Pawel Wielgus
Follow Ups:
Post a Followup
Subject:
if B is 1s22s22p1, what is Li?
Passfield:
Comments: : Hello, : is there any simple way to print to file one- and two-electron reduced density matrices? : Pawel Wielgus