Quantum Chemistry: Basic Principles and Ab Initio Methods (Volume 2): Basic Principles and Ab Initio Methods

Author: Xu Guangxian
Publisher:
Publish Date: 1999-05-01
Features: The first and second volumes of this book can be used as teaching materials or reference books for graduate students taking intermediate molecular orbital chemistry courses. They are also suitable for reference by graduate students, senior undergraduate students, teachers, and scientific and technical personnel in quantum chemistry and related fields. This book is the second volume of Quantum Chemistry: Basic Principles and Ab Initio Methods, containing eight chapters. Chapters 9 and 10 discuss the computational methods for quantum chemical integrals, serving as mathematical preparation for the subsequent chapters. Chapters 11 and 12 cover the theory of multiplet states of atomic structure and the self-consistent field method. Chapters 13 and 14 discuss the self-consistent field method for molecular calculations and electron-related issues. These six chapters include the main content of quantum chemistry ab initio methods. Chapters 15 and 16 introduce the model potential method and the self-consistent field method in approximate calculation methods. Other semi-empirical molecular orbital theories are not elaborated further, as there are already dedicated books on them. The second volume of this book will further discuss advancements in quantum chemistry and certain specialized topics.