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Molecular Quantum Mechanics

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Quantum mechanics embraces the behaviour of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed. Molecular Quantum Mechanics leads us through this absorbing yet challenging subject, unravelling those fundamental physical principles
which explain how all matter behaves.
With the clarity of exposition and rich pedagogy which have established the book as a leading text in the field, Molecular Quantum Mechanics takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of
spectroscopy, and the electronic and magnetic properties of molecules. Lucid explanations and illuminating artworks help to visualise the many abstract concepts upon which the subject is built.
Fully updated to reflect the latest advances in computational techniques, and enhanced with more mathematical support and worked examples than ever before, Molecular Quantum Mechanics remains the ultimate resource for those wishing to master this important subject.

Supplementary resources
Companion web site,
Illustrations available to download
Solutions manual available to download [instructors only]

592 pages, Paperback

First published December 28, 1970

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About the author

Peter Atkins

209 books204 followers
Peter William Atkins is an English chemist and a Fellow of Lincoln College at the University of Oxford. He retired in 2007. He is a prolific writer of popular chemistry textbooks, including Physical Chemistry, Inorganic Chemistry, and Molecular Quantum Mechanics. Atkins is also the author of a number of popular science books, including Atkins' Molecules, Galileo's Finger: The Ten Great Ideas of Science and On Being.

Librarian Note: There is more than one author in the Goodreads database with this name.

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5 stars
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Displaying 1 - 6 of 6 reviews
Profile Image for Martina.
440 reviews35 followers
June 11, 2020
Re-read throughout 2020

Atkins' Molecular Quantum Mechanics is still an amazing book. It has been my constant companion throughout 2020 and I leaned heavily into it. I love it even more than I used to, if that's even possible.

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I know that, in the physics circuit, this book is... well, not exactly frowned upon, but there is some prejudice against it (probably because Peter Atkins is actually a chemistry professor). However, after reading the book, I have come to the conclusion that having any kind of prejudice makes no sense.

Molecular quantum mechanics is an excellent book and, despite the opinion in some circles, is well suited to fit the needs of a student taking courses in Atomic and/or Molecular physics. I especially liked the slow build-up - the first three chapters are devoted entirely to freshening up the knowledge one has left after the standard courses of Quantum mechanics. That kind of intro eliminates the need to consult other books first, which is, from a practical viewpoint, very nice.

Then with the fourth chapter, the real stuff kicks in. For my course, I didn't have to read the whole book, but from what I've read, I got a favorable impression. I'll try not to rave too much, but there is so much I really liked about this book. The approach to angular momentum, coupled and uncoupled basis, the detailed explanation of spectral terms and how to construct them, how to split them into levels, what happens in an external field, then MOLCAO... Each topic has been done in detail, and in very simple and understandable language. There are many examples sprinkled liberally throughout the text, and "self-test" sections, too. Both of them have been proven, at least in my case, very useful in discerning whether or not I have comprehended what's going on. The margins are also wonderfully done, not only with illustrations, but with little math reminders here and there.

All in all, I'm very fond of Molecular quantum mechanics and I wish other physics students would take it up, if not as the primary textbook, then as a supplementary read. (I'm quite aware that some calculations are omitted here - like for the ionized hydrogen molecule - but that didn't detract me from enjoying the book.)
Profile Image for Julia Musumeci.
84 reviews
December 20, 2025
It does not feel real that I’ve finished this class.
I conclude that quantum mechanics is quite an elegant subject and I find it sad that I’m not able to engage fully with its mathematical beauty.
Although I blacked out during several weeks of lectures, I am very content with how much I learned (I once corrected a ucla physics professor, leaving him stunned! 💪💪)
My favorite part of quantum mechanics is its whimsy - from turning quotes from my professor into beautiful philosophies (electrons attract each other) to envisioning myself as the electron to find its correct slater determinant.
I end this review with the wise advice shared with me before my final exam for those that plan on taking it in the future. When in doubt, just ask “what would Schrödinger do?” You are bound to get the problem right and who knows, maybe you’ll even manage to summon him! 🌀
Profile Image for James Lyon.
18 reviews2 followers
March 8, 2010
This book is very pretty: I said it. The coloring and font is spot on. The material is well covered too; I especially liked his presentation of the relationship between coupled and uncoupled electron systems via Clebsch-Gordan coefficients. Recommended.
Profile Image for Rangsiman Ketkaew.
12 reviews
June 13, 2023
I used this book as a reference for a physical chemistry course when I was a TA. The book explains the concept of quantum chemistry quite clearly but it skips some important concepts.

With that being said, this book is good for beginners but for those who are looking for a book for core research with state-of-the-art techniques in quantum simulation & electronic structures, I would prefer other books to this one.
Profile Image for Stephanie.
112 reviews8 followers
October 20, 2013
Quite a decent book but explanations can be quite (unnecessarily) long. More examples on how to use the theory would be nice too.
Can be difficult to understand if you don't have a solid background in physics and chemistry.
Sometimes can feel like steps are skipped for beginners, so it definitely lacks in that department.
14 reviews2 followers
August 16, 2011
Alright, my supervisors don't like this because "the descriptions aren't entirely accurate". But hey, if you wish to *pretend to* understand quantum mechanics for chemistry at all, please read this.
Displaying 1 - 6 of 6 reviews

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