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
Pair Densities in Dalton
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- Posts: 395
- Joined: 27 Jun 2013, 18:44
- First name(s): Hans Jørgen
- Middle name(s): Aagaard
- Last name(s): Jensen
- Affiliation: Universith of Southern Denmark
- Country: Denmark
Re: Pair Densities in Dalton
How do you want it ???periodic wrote: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
-- Hans Jørgen
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