[molpro-user] CC2/ADC(2) geometry optimization

Avdhoot Datar adatar at students.iiserpune.ac.in
Wed Nov 23 13:48:36 CET 2016

Dear All,

Is it possible to perform excited state geometry optimizations with CC2 or
ADC(2) methods with the 2012 version of Molpro? If yes, then is the
calculation of gradients implemented numerically or analytically?

Thanking you in advance,
Avdhoot Datar
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