Molecular quantum mechanics

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• yomly · Jun 11, 2020 · Recommends

  …chemistry. Softley' Atomic Spectra and Keeler's Why Chemical Reactions Happen are phenomenal primers too but are a bit smaller in scope than the aforementioned two. The same Atkins from above also wrote Molecular Quantum Mechanics which is also a solid text

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• photochemsyn · Sep 10, 2022 · Recommends

  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…

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• graphene · Oct 24, 2009 · Recommends

  …addressed in the clear-cut cases often presented in introductory QM textbooks. I can't think of any must-read references right now, but if you're interested in this kind of thing I know of two books on molecular quantum mechanics; one by McWeeney (methods of molecular quantum mechanics) and one by Atkins (molecular quantum mechanics), which I haven't read myself, but I hear it's good. I don't know of any free online sources for…

  on “Gravity versus electromagnetism ...” ↗
• photochemsyn · Feb 12, 2024 · Recommends

  …up with post hoc arguments and simplified narratives, and I think it it just makes life harder for undergraduate students. Maybe 'history of science' should be its own subject? Some textbooks (e.g. Molecular Quantum Mechanics, Atkins & Friedman) take a more nuanced view. They present failures of classical calculations of the heat capacity of solids near absolute zero side by side with blackbody radiation: > "Einstein recognized…

  on “The Ultraviolet Myth” ↗
• photochemsyn · Aug 26, 2023 · Recommends

  …this brings us into the realm of numerical solutions, group theory symmetry arguments, and so on. If you find this subject interesting I suggest getting your hands on a copy of PW Atkins / RS Friedman "Molecular Quantum Mechanics" and perhaps also PCW Davies semi-pop-sci-but-with-way-too-many-equations (1979) "The forces of nature". (doesn't cover molecules though is great on background) https://www.amazon.com/Forces-Nature-P-C-Davies/dp/052131392...…

  on “We are not empty: The concept of the atomic void is a mistake” ↗
• photochemsyn · Nov 9, 2022 · Mentions

  …of an observable, with an eigenfunction being a special kind of operator-function relationship. At the end, there's a nice non-QM application (Fourier transforms). source: PW Atkins & RS Friedman, "Molecular Quantum Mechanics 3rd Ed" > An observable is any dynamical variable that can be measured... in classical mechanics... observables are represented by functions* (such as position as a function of time), in quantum mechanics…

  on “What is an eigenvalue?” ↗