With the development of sophisticated program packages, advanced computational electronic-structure theory has become a practical tool for nonspecialists at universities and in industry. This book provides a technical account of the subject. Suitable for students and researchers alike, it provides extensive numerical examples and solutions at the end of each chapter and obtains important working equations of computational electronic-structure theory in detail, which readers are able to use to write a computer program. The methods used are supported by actual examples.
With the development of sophisticated program packages, advanced computational electronic-structure theory has become a practical tool for nonspeciali...