Monte Carlo Methods in AB Initio... (V1) - Hardcover

by Lester W a (Author)

This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.

Some distinguishing features of this book are:

• Clear exposition of the basic theory at a level to facilitate independent study.
• Discussion of the various versions of the theory: diffusion Monte Carlo, Green's function Monte Carlo, and release node Monte Carlo.
• Commentary on the important features that distinguish this stochastic approach from ab initio methods.