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JustAChemist
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Does anyone know of a good code-oriented book on molecular electronic structure theory?
I've been looking for a good modern book that teaches how to write SCF code to solve simple cases of the kind of problem that standard quantum chemistry packages (e.g. Gaussian, Orca) are used for without much luck for quite a few years now. The closest I've come is the appendix of Szabo and Ostlund, but I was really hoping for something that places a fairly large focus on code throughout the book.
(This question might belong in the Chemistry forum, but I thought I'd give it a try here first.)
Thank-you!
I've been looking for a good modern book that teaches how to write SCF code to solve simple cases of the kind of problem that standard quantum chemistry packages (e.g. Gaussian, Orca) are used for without much luck for quite a few years now. The closest I've come is the appendix of Szabo and Ostlund, but I was really hoping for something that places a fairly large focus on code throughout the book.
(This question might belong in the Chemistry forum, but I thought I'd give it a try here first.)
Thank-you!