Quantum Mechanics and Atomistic Simulation
An interactive book
The first module of Meccanica quantistica e simulazioni atomistiche, P. Postorino’s Principi di meccanica quantistica, as an interactive book. It is built from my study notes on his weekly slides and the readings posted with them, and is meant to be read instead of them: every slide is here, every result is derived, the slides’ mistakes are corrected and said so, and every section closes with exercises and folded solutions.
So far the book covers weeks 1–4 (28 September – 25 October 2026): the classical tools (oscillators, waves, Fourier, light in vacuum and in matter, probability) and the old quantum theory. Quantum mechanics proper, and G. Zollo’s atomistic simulations in semester II, are added a part at a time as the notes for them are finished.
How to read it
- Drag things. Figures you can move have handles: drag them with a pointer or a finger; with the keyboard, focus a figure, press Enter to pick a handle and the arrow keys to move it (Shift for larger steps). Things snap where something interesting happens, and the text beside the figure says what.
- Colours mean something, the same in the text and in the figures (Notation, constants and colours): for what drives, for the response, for what you are looking for, and for real and imaginary parts.
- Dotted links open in place. A reference shows what it names right here; click again to close it.
- Proofs and solutions are folded. Try first, then open.
- Only a few definitions are essential, marked as such. Everything else is built from them (Index of terms).
- “Beyond the lectures” marks what this book adds to the lectures: skipped steps, examples, pictures, results stated on the slides without proof. Everything unmarked is in Postorino’s slides.
- Slide slips are boxes that point out a mistake on a slide and give the correction.
- Extra readings are folded: material from the Moodle readings that goes beyond the slides. The exam asks about what was done in class, so read them for understanding.
The exam
One exam for both modules, examined by G. Zollo. For this module Postorino describes a few written questions on the theory (proofs of theorems, computing wavefunctions, applying the postulates), then an oral discussion of the answers and of anything else covered in the course.
Contents
Part 1. Oscillators and waves
Why the atomic world needs new physics, then the two tools every later chapter uses: the harmonic oscillator, solved once and for all with complex numbers, and waves, taken apart into sinusoids by Fourier.
Part 2. Light
Maxwell’s equations make a wave that travels at c. Its direction at an interface (Snell), how much is reflected (Fresnel), and what happens when two or many such waves add: interference, standing waves, beats, gratings, X-ray diffraction.
Part 3. Light in matter
Each bound electron is a driven, damped oscillator; each free electron is one without a spring. The result is a complex refractive index: its real part sets the speed of light in matter, its imaginary part the absorption.
Part 4. Probability and statistical physics
Probability, random variables, mean and variance, and the one distribution the next part needs: Boltzmann’s, which says how particles share out energy at a temperature T.
Part 5. The old quantum theory
Five experiments classical physics cannot explain, and the ad hoc fixes that explained them: Planck’s quanta, Einstein’s photon, Bohr’s orbits, de Broglie’s matter waves. The way into quantum mechanics proper.