Subject: new textbook in quantum chemistry

From: Miklos Feher <[email-masked]>
Date: Tue, 4 Jan 2000 09:07:45 -0500

Dear All,

We would like to announce our new textbook, called "Quantum Chemistry:
Fundamentals to Applications", which has just been published by Kluwer
(ISBN: 0-306-46164-1). 

The first part of the book introduces the fundamental aspects of quantum
mechanics and quantum chemistry. This is done in a systematic fashion
but without the use of much of the heavy maths that accompanies similar
undertakings. The second part exemplifies the use of theory on real-life
applications, taken from recent journal articles, reworded and
explained. The level of the text should make it suitable to
undergraduate and postgraduate students, who are getting acquainted with
computational chemistry, as well as to interested readers from related
areas of chemistry, especially organic and inorganic chemists. 

The contents of the book are the following: 

 Part I: The Fundaments. 
     1. The Fundamentals of Group Theory. 
     2. The Postulates of Quantum Mechanics. 
     3. Playing with the Schrödinger Equation. 
     4. Quantum Chemistry: A Hierarchy of Approximations. 
     5. Methods of Approximation. 
     6. The Hartree-Fock Method and Its Consequences. 
     7. Beyond the Hartree-Fock Method. 
     8. The Theory of Electron Density. 
     9. Semiempirical Methods. 
Part II: Applications. 
     10. Molecular Structure. 
     11. Vibrational Frequencies. 
     12. Thermodynamic Properties. 
     13. Properties Related to Electron Density. 
     14. Chemical Reactions. 
     15. Calculations on Liquids and Solids. 
     16. Molecular Dynamics Simulations. 
     17. Ions and Excited Electronic States. 
Appendix:
      I.   The Basis of Linear Algebra. 
      II.  Selected Character Tables. 
      III. Units.
      IV.Recent Books in Quantum Chemistry. 

More information on the book can be found on the Kluwer website:
http://www.wkap.nl/book.htm/0-306-46164-1.

T. Veszpremi
Technical University of Budapest, Hungary

and 

Miklos Feher
Nanodesign Inc., Guelph, ON, Canada

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Dr. Miklos Feher
senior scientist, computational chemistry
Nanodesign Inc., Suite 300, Research Park Centre
150 Research Lane, Guelph, ON, N1G 4T2, Canada
Tel: 519-823-9088    Fax: 519-823-9401  
e/mail:[email-masked] 
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