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 1174gives 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>