Strategies and applications in quantum chemistry : from molecular astrophysics to molecular engineering /

• Άλλοι συγγραφείς: Ellinger, Y., Defranceschi, Mireille, 1955-
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: New York : Kluwer Academic Publishers, �2002.
• Σειρά: Topics in molecular organization and engineering ; v. 14.
• Θέματα: Quantum chemistry.; SCIENCE > Chemistry > Physical & Theoretical.; Electronic books.

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatmen...