Search found 2 matches

by Vsevolod
08 Oct 2019, 23:55
Forum: General discussions
Topic: Modifying SCF integrals
Replies: 2
Views: 1550

Re: Modifying SCF integrals

Dr. Jensen,

Thank you very much.
by Vsevolod
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...