Lecture Notes in Quantum Chemistry: European Summer School in Quantum Chemistry

ISBN-13: 9783540553717 / Angielski / Miękka / 1992 / 424 str.

Bjvrn O. Roos; Bjrn O. Roos; Bjarn O. Roos

Opis

"Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj-rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method

Spis treści

Mathematical Tools in Quantum Chemistry.- The Method of Second Quantization.- Molecular Symmetry and Quantum Chemistry.- The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory.- The Configuration Interaction Method.- Optimization of Minima and Saddle Points.- Accurate Calculations and Calibration.- The Effective Core Potential Method.