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Molecular Quantum Mechanics by PW Atkins and RS Friedman

Kind of a niche subject but this one really stands out. The prerequisites are a fairly solid understanding of linear algebra and differential and integral calculus. It's for anyone interested in spectroscopy from IR through UV, the electronic structure of molecules, approximate techniques, molecular symmetry and group theory, computational matrix-based methods, etc.

For background on computational linear algebra, this one is great:

Linear Algebra: A Modern Introduction by David Poole



It was Peter Atkins’ lectures in Quantum Mechanics that made me decide to go into Quantum Chemistry, so the book always brings back fond memories.

For Chemistry I’d also list Pauling’s Nature of the Chemical Bond. And maybe Szabo and Ostlund’s Modern Quantum Chemistry.




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