Subject: Re: CCL:Re.derivs of g-funcs

From: [email-masked] (Mike Frisch)
Date: Sun, 27 Jun 1999 18:06:15 -0400 (EDT)

Nathaniel O. J. Malcolm writes:
> 
> thanks to Dmitry Khoroshun who rightly pointed out that 
> Gaussian doesn't have an algoithm for doing derivative integrals 
> of angular momentum higher than f-functions, I should have read the manual
> properly in the first place!
> 

Actually, G98 can do first and second derivatives for arbitrary angular momenta
for almost all types of calculation, including HF, DFT, MP2, QCISD, etc.  The
one exception is CASSCF.

Mike Frisch