Lecture Notes in Quantum Chemistry (eBook, PDF)

European Summer School in Quantum Chemistry
Redaktion: Roos, Björn O.

• Format: PDF

Produktbeschreibung

Computational chemistry has today reached a status where available methods and program systems are also used by scientists who are not specialists in the field. As a result there is a growing need to acquire the background knowledge necessary for a skilful use of these methods. This book will be useful as a textbook for students and researchers interested in learning more about modern methodology in quantum chemistry.

---

Dieser Download kann aus rechtlichen Gründen nur mit Rechnungsadresse in A, B, BG, CY, CZ, D, DK, EW, E, FIN, F, GR, HR, H, IRL, I, LT, L, LR, M, NL, PL, P, R, S, SLO, SK ausgeliefert werden.

Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 424
• Erscheinungstermin: 6. Dezember 2012
• Englisch
• ISBN-13: 9783642581502
• Artikelnr.: 53106682

Inhaltsangabe

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.