Theoretical Surface Science

In the enlarged, updated and revised edition of this overview of the theoretical concepts in surface science, a new chapter on surface magnetism has been included. This edition also addresses novel developments in the field.

Progress continues in the theoretical treatment of surfaces and processes on surfaces based on first-principles methods, i.e. without invoking any empirical parameters. In this book, the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented, together with a detailed discussion of surface phenomena. This makes the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science. This second enlarged edition has been carefully revised and updated, a new chapter on surface magnetism is included, and novel developments in theoretical surface science are addressed.

This 2nd enlarged and updated edition also includes a chapter on surface magnetism and addresses novel developments in theoretical surface science. Only some experimentally oriented books and textbooks on surface science have been available so far. This book will fill this gap Summarizes the basics, concepts and theoretical background of surface phenomena Both a textbook for graduate students and a reference work for researchers Includes supplementary material: sn.pub/extras

Inhalt
The Hamiltonian.- Electronic Structure Methods and Total Energies.- Structure and Energetics of Clean Surfaces.- Adsorption on Surfaces.- Surface Magnetism.- Gas-Surface Dynamics.- Kinetic Modeling of Processes on Surfaces.- Electronically Non-adiabatic Processes.- Perspectives.