The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules.
Clear and well-written, this text is ideal for the second semester of a two-semester course in Quantum chemistry, or for a special topics course..
The book is largely self-contained and requires no prerequisite other than a solid undergraduate physical Chemistry course; however, some exposure to Quantum Chemistry will enhance the student\'s appreciation of the material.
Over 150 exercises, designed to help the reader acquire a working knowledge of the material, are embedded in the text.
Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an introduction to the basic techniques, ideas, and notations of Quantum chemistry, (3) a thorough discussion of the Hartree-Fock approximation, (4) a treatment of configuration interaction (Cl) and approaches incorporating electron correlation, (5) a description of the independent electron pair approximation and a variety of more sophisticated approaches that incorporate coupling between pairs, (6) a consideration of the perturbative approach to the calculation of the correlation energy of many-electron systems and (7) a brief introduction to the use of the one-particle many-body Green\'s function in Quantum chemistry.
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.
The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules
