Strategies and Applications in Quantum Chemistry: From Molecular Astrophysics to Molecular Engineering (Topics in Molecular Organization and Engineering) pdf epub fb2

Strategies and Applications in Quantum Chemistry: From Molecular Astrophysics to Molecular Engineering (Topics in Molecular Organization and Engineering) by - epub fb2 djvu

Author: -
Title: Strategies and Applications in Quantum Chemistry: From Molecular Astrophysics to Molecular Engineering (Topics in Molecular Organization and Engineering)
ISBN: 0792338375
ISBN13: 978-0792338376
Other Formats: azw rtf lit mobi
Pages: 463 pages
Publisher: Springer; 2002 edition (January 31, 1996)
Language: English
Size EPUB version: 1573 kb
Size FB2 version: 1374 kb
Category: Engineering & Transportation
Subcategory: Engineering

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 treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory. The second part is devoted to more practical studies, ranging from the characterisation of exotic interstellar molecules, the accurate determination of spectroscopic constants, excited states structures and EPR parameters through photochemical and charge-transfer processes, cluster chemistry and fullerenes, muonium chemistry, to the possible prediction of the response of materials to electric fields in view of nonlinear optical applications. Audience: Graduate students and researchers whose work involves quantum chemistry, molecular physics, and materials modelling.

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