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Author Magnasco, Valerio.

Title Elementary methods of molecular quantum mechanics / Valerio Magnasco.

Imprint Amsterdam, the Netherlands ; Boston : Elsevier, 2007.

Copies

Location Call No. OPAC Message Status
 Axe Elsevier ScienceDirect Ebook  Electronic Book    ---  Available
Edition 1st ed.
Description 1 online resource (xvii, 729 pages) : illustrations
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
text file
Summary Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations. This book aims to bridge the gap between the classic Coulsons Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeenys Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter. * Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics * Simplifies all mathematical formulae for the reader * Provides educational training in basic methodology.
Contents 1. Basic principles of quantum mechanics -- -- 2. Elementary matrix methods -- -- 3. The particle in the box -- -- 4. The hydrogen-like system -- -- 5. The variation method -- -- 6. The electron spin -- -- 7. Many-electron wavefunctions: Slater, Hartree-Fock -- and related methods -- -- 8. Molecular symmetry and group theoretical methods -- -- 9. Angular momentum methods for atoms -- -- 10. Valence bond methods and the chemical bond -- -- 11. Rayleigh-Schroedinger perturbation methods -- for stationary states -- -- 12. Atomic and molecular interactions -- -- 13. Evaluation of molecular integrals over STOs.
Bibliography Includes bibliographical references (pages 709-716) and indexes.
Audience Graduate university students of chemistry and physics.
Note Print version record.
Subject Quantum chemistry -- Textbooks.
SCIENCE -- Chemistry -- Physical & Theoretical.
Quantum chemistry
Quantenchemie
Quantenmechanik
Théorie quantique.
Genre/Form Textbooks
Textbooks.
Other Form: Print version: Magnasco, Valerio. Elementary methods of molecular quantum mechanics. 1st ed. Amsterdam, the Netherlands ; Boston : Elsevier, 2007 0444527788 9780444527783 (OCoLC)85824874
ISBN 9780080466804 (electronic bk.)
008046680X (electronic bk.)
9780444527783
0444527788
Standard No. AU@ 000045454385
CHDSB 005986159
DEBBG BV042311182
DEBSZ 305007378
DEBSZ 405304714
NZ1 11778299
NZ1 15193887
UKMGB 017720466

 
    
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