Quantum Mechanics for Chemistry: Atoms, Molecules, and More using Matlab and WebMO

This text is an introduction to Quantum Mechanics (QM) from a Physical Chemistry perspective based on spectroscopy as an application of QM. It also offers an introduction to Nanoscience and Statistical Mechanics. The model problems of particle-in-box, free particle, rigid rotor, harmonic oscillator, and hydrogen atom are fully treated. The text teaches how to do the hard math, such as symbolic differentiation and integration using MATLAB examples by virtue of a matrix approach to QM as illustrated with MATLAB routines and ab initio calculations using WebMO. The programs used to do QM are made available to the reader. This text provides a better pathway to advanced QM. It builds a toolbox of math skills widely useful in other fields. Read more