Actually, Chris Cramer is the author of
“Computational Chemistry” is another good intro to the mathematics
of Hartree-Fock MO method and basis functions. It has exercises for the student,
with answers in the back of the book.
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for Windows 10
I think Chris
Farmer's book "Essentials of Computational Chemistry" would be a good
place to start. It have quite a bit on how various methods work and does not
have a great deal of mathematical details.
Dear Dr. Lehtola,
Can You please suggest something good to
read about the theory of CPHF and response functions? I have performed some
literature search but it was quite hard to me to sum it up to get at least some
understanding of "how it works": I have never attended any serious
course on quantum mechanics or chemistry, and I didn't find much literature for
laymen like me either. Most books I have read contain either the essential
basics or deep discussion, being quite sparse in between.
Sent to CCL
by: Susi Lehtola [susi.lehtola^alumni.helsinki.fi]
04/26/2018 03:46 PM, Igors Mihailovs igorsm : cfi.lu.lv wrote:
By default, Gaussian uses CPHF for
polarizabilities (quite different from the response formalism, as far as I can
judge – /can anyone comment on that?/)
*is* linear response.