10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-03 23:41:45 +02:00
2023-06-02 20:16:39 +02:00
..
2023-06-01 19:59:25 +02:00
2023-05-15 00:31:28 +02:00
2023-05-08 23:31:20 +02:00
2023-02-06 19:00:35 +01:00
2023-06-01 19:59:25 +02:00
2023-02-06 19:00:35 +01:00
2023-06-02 20:16:39 +02:00
2023-05-08 23:31:20 +02:00
2023-06-02 20:16:39 +02:00

=============
non_h_ints_mu
=============

Computes the non hermitian potential of the mu-TC Hamiltonian on the AO and BI-ORTHO MO basis.
The operator is defined in Eq. 33 of JCP 154, 084119 (2021)

The two providers are :
+) ao_non_hermit_term_chemist which returns the non hermitian part of the two-electron TC Hamiltonian on the MO basis. 
+) mo_non_hermit_term_chemist which returns the non hermitian part of the two-electron TC Hamiltonian on the BI-ORTHO MO basis.