From owner-chemistry.,at,.ccl.net Thu Mar 25 09:45:01 2010
From: "Thomas =?iso-8859-1?b?S2rDg8KmcmdhYXJk?= tkjaergaard^-^chem.au.dk" <owner-chemistry#server.ccl.net>
To: CCL
Subject: CCL: Implementation of Hartree-Fock response calculation
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Sent to CCL by: Thomas =?iso-8859-1?b?S2rDg8KmcmdhYXJk?= [tkjaergaard++chem.au.dk]
not that I know of but

J. chem. Phys. 97 (2) 1992 page 1174

gives a little more details, although no explicit expressions for  
implementation
so you need to work out the commutators yourself.

best regards

Thomas kjaergaard


Quoting "YZ Lan lyzhao*o*zjnu.cn" <owner-chemistry-#-ccl.net>:

>
> Sent to CCL by: "YZ  Lan" [lyzhao,+,zjnu.cn]
> Dear CCLers,
>    I want to make a program for calculating the  
> (hyper)polarizabilities based on Hartree-Fock response theory.  
> J.Chem.Phys. v82, p3235 is a good theoretical reference. Is there a  
> reference (not source code such as Dalton and NWChem) for  
> implementation of Hartree-Fock response calculation?
> Thank you very much.
>
> Lan>
>
>