Roos Lecture Notes in Quantum Chemistry

European Summer School in Quantum Chemistry
Erscheinungsjahr 2012
ISBN: 978-3-642-58150-2
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band 58, 424 Seiten, eBook

Reihe: Lecture Notes in Chemistry

"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

Zielgruppe

Research

Autoren/Hrsg.

Roos, Björn O.

Inhaltsverzeichnis

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.