Szabo A., Ostlund Neil S. Modern quantum chemistry: introduction to advanced electronic structure theory

Rev. ed. — Dover Publications, Inc., 1996. — 466 p.The aim of this graduate textbook is to present and explain, at other than a superficial level, modern ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation. The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation.This revised edition differs from its predecessor essentially in three ways. First, we have included an appendix describing the important recent developments that have made the efficient generation of equilibrium geometries almost routine. We are fortunate that M. Zerner agreed to write this since our own recent interests have been channeled in other directions. Second, numerous minor but annoying errors have been corrected. For most of these we are indebted to K. Ohno, T. Sakai and Y. Mochizuki
who detected them in the course of preparing the Japanese translation which has recently been published by Tokyo University Press. Finally, we have updated the Further Reading sections of all the chapters. We are extremely pleased by the many favorable comments we have received about our book and we hope that the next generation of readers will find this edition useful.