Search found 2 matches

by periodic
22 Jan 2015, 13:13
Forum: Running Dalton
Topic: pair densities in Dalton/lsDalton
Replies: 0
Views: 5932

pair densities in Dalton/lsDalton

Is it possible to obtain a MP2 pair density (two-electron density) in Dalton/lsDalton, at least for small systems? I need it for systems with a few electrons.

Regards,

Stefan
by periodic
20 Jan 2015, 11:19
Forum: General discussions
Topic: Pair Densities in Dalton
Replies: 1
Views: 5846

Pair Densities in Dalton

Is it possible to obtain a MP2 pair density (two-electron density) in Dalton/lsDalton, at least for small systems? I need it for systems with a few electrons.

Regards,

Stefan