[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?


Mingwei Wang
College of Chemistry and Molecular Engineering
Peking University
Beijing, P. R. China
mingwei at hpsv.pku.edu.cn

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