Dr. Jensen,
Thank you very much.
Search found 2 matches
- 08 Oct 2019, 23:55
- Forum: General discussions
- Topic: Modifying SCF integrals
- Replies: 2
- Views: 1550
- 07 Oct 2019, 19:36
- Forum: General discussions
- Topic: Modifying SCF integrals
- Replies: 2
- Views: 1550
Modifying SCF integrals
Dear Dalton Community, My name is Vsevolod, nice to meet you. I am interested in variation of electron mass and electron charge constants to observe any structural changes of some selected compounds. For that, I need to modify 1- and 2-electron integrals of SCF procedure and need some help on this w...