Yes....fat fingers, small on-screen keyboard, aggressive autocorrect, and poor proofreading is not a good combination. I have given copies of this book to half a dozen or so undergraduate research students as graduation presents over the past several years. Sorry for mangling your name Chris Cramers....your book is a nice, quite readable introduction to our broad field.Steve
Actually, Chris Cramer is the author of “Essentials..”.
Errol Lewars’ “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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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.
With deep gratitude,
On 26/04/18 20:54, Susi Lehtola susi.lehtola- -alumni.helsinki.fi 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?/)
CPHF *is* linear response.