CCL: Can I output the CI-single Hamiltonian matrix in Gaussian Package
- From: "Youzhao Lan" <lyzhao|zjnu.cn>
- Subject: CCL: Can I output the CI-single Hamiltonian matrix in
Gaussian Package
- Date: Sun, 25 Apr 2021 10:29:31 -0400
Sent to CCL by: "Youzhao Lan" [lyzhao\a/zjnu.cn]
Dear all,
Can I output the CI-single Hamiltonian matrix, <Psi_CIS|H|Psi_CIS> ?
If yes, which IOP shall I use?
Best regards
Lan