Re: CCL:question on TDDFT using Gaussian 03
- From: "S.I.Gorelsky"
<gorelsky<<at>>stanford.edu>
- Subject: Re: CCL:question on TDDFT using Gaussian 03
- Date: Thu, 2 Dec 2004 11:10:44 -0800 (PST)
I think Mark Casida described it very well in his Chapter on TD-DFT.
Please check pages 176-177 of
M. E. Casida, in "Recent Advances in Density Functional Methods" Part
I,
D. P. Chong (Ed.), World Scientific, Singapore, 1995.
With regards,
S.G.
> Dear Sergei
>
> S.I.Gorelsky wrote:
> > those numbers are the largest coefficients in the CI expansion
> > (for the corresponding one-electron excitations: 22A -> 26A, 20B
-> 22B,
> > etc.)
> >
>
> What does "CI expansion" mean within the context of
time-dependent
> density functional theory?
>
> Reinaldo
>
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