Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics By Errol G. Lewars
2003 | 482 Pages | ISBN: 1402072856 | PDF | 18 MB
2003 | 482 Pages | ISBN: 1402072856 | PDF | 18 MB
The only other book I can compare this to is Cramer's, and this one is better suited to a first introduction into computatioal chemistry. I have taken one graduate quantum chemistry course, and this was more than enough background for understanding this book. This is the only text I know of (I asked my comp chem prof if he knew of any others) that walks through a Hartree Fock calculation step by step using an example. There are some mistakes in the formulas, but they are quite minor. All in all, I would recommend this book to anybody interested in beginning to learn about computational chemistry.