[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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