Modern Quantum Chemistry

<p>The aim of this graduate-level textbook is to present and explain at other than a superficial level modem <i>ab initio </i>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.<br>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.<br>Over 150 exercises designed to help the reader acquire a working knowledge of the material are embedded in the text. 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. 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.</p>