[molpro-user] molecular orbitals composing coefficents
Wang Mingwei
mingwei at hpsv.pku.edu.cn
Fri Mar 4 00:42:55 GMT 2005
Hello everyone,
How can I get the composing coefficents of atomic orbitals in one molecular
orbital through hf, casscf, and mrci result? Or does molpro have any keyword
to control this to be printed?
Thanks.
***********************
Mingwei Wang
College of Chemistry and Molecular Engineering
Peking University
Beijing, P. R. China
***********************
mingwei at hpsv.pku.edu.cn
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