Re: One- and two-electron reduced density matrices


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Posted by Per Åke Malmqvist on November 28, 2005 at 08:51:57:

In Reply to: Re: One- and two-electron reduced density matrices posted by Roland Lindh on November 24, 2005 at 15:32:55:

: Hi,
: there is really no simple way of doing this. However, if you consult the RASSCF manual and explore the print levels in various sections of the RASSCF module I'm sure that you will be able to get information you want without the output being too verbose.

: -roland




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if B is 1s22s22p1, what is Li?

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