[molpro-user] Polzarizability components Using Finite Field Method ...

Tatiana Korona tania at tiger.chem.uw.edu.pl
Sat Mar 21 17:43:14 GMT 2015

Dear Sachin,

Look in examples/h2o_field.com
how the static polarizability is calculated by numerical differences.

Of course, if you change there


to e.g.


you will get the YY component instead of the ZZ one etc.

Best wishes,


On Fri, 20 Mar 2015, Sachin D Yeole wrote:

> Dear MOLPRO Team:
> I am trying to calculate the polarizability components
> of a molecule at CCSD(T). The finite field method gives
> value of DPOLZ (field applied along z axis), Can I call it as the polarizability
> component along z axis ?
> and when the field applied to other axes will I get other two components?
> thanks
> Sachin...
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory, University of Warsaw, Pasteura 1, PL-02-093 Warsaw, POLAND

More information about the Molpro-user mailing list