Search -
Pseudopotential Theory of Atoms and Molecules
Pseudopotential Theory of Atoms and Molecules Author:Levente Szasz The goal of this book is to present, for the first time, a detailed and comprehensive treatment of pseudopotential theory. In addition to the presentation of pseudopotential theory, the book also contains a detailed discussion of the ab initio theory of atoms and molecules with two or more valence electrons. The presentation of such a theory, in... more » which the electron correlation between the valence electrons is fully taken into account, is usually omitted from textbooks, thus the discussion of such theories is intrinsically useful, besides being necessary for the development of pseudopotential methods. The book is constructed in such a way that, starting from simple quantum mechanical principles, the detailed development of the theory is presented, leading to the presentation of the most up- to-date, state-of-the-art techniques. The emphasis is everywhere on a detailed discussion of the theory; calculations are presented only as demonstrative examples. The reader is assumed to possess a fair knowledge of quantum mechanics.« less