CCL: DFT FOR BEGINNERS



There are a lot of books and articles, such as:
1.      A Chemist?s Guide to Density
 Functional Theory, Wolfram Koch, Max C. Holthausen, 2001 ( This is an excellent
 book for the Chemists)
2.      Molecular Modelling for Beginners, Alan Hinchliffe,
 2003.
3.      Molecular Modelling Principles and Applications, Andrew R. Leach,
 2001.
4.      Density Functional Theory of Atoms and Molecules, Parr and Yang,
 1989.
5.      Modern Quantum Chemistry: Introduction to Advanced Electronic Structure
 Theory, Szabo and Ostlund, 1989.
6.      The Fundamental of Density Functional Theory,
  Helmut Eschrig, 1996.
7.      Simons J 1991 An experimental chemist?s guide to ab initio
 quantum chemistry J. Phys. Chem. 95
 1017?29.
8.      H
 ead-Gordon M 1996 Quantum chemistry and molecular processes J. Phys. Chem. 100
 13 213?25
9.      http://www.yu.edu.jo/rawash/495%20info.html
10. 
 http://www.ccl.net/cgi-bin/ccl/message-new?2007+11+15+002
 
 
Good Luck
 


"neeraj Misra neerajmisra]*[hotmail.com" <owner-chemistry#ccl.net> wrote:

Sent to CCL by: "neeraj Misra" [neerajmisra . hotmail.com]
CAN ANYONE SUGGEST ME SOME GOOD LITERATURE REGARDING THE FUNDAMENTALS OF DENSITY FUNCTIONAL THEORY, ANY LINK, PAPER, ARTICLE WHICH IS ACCESSIBLE. HELP SHALL BE GRATEFULLY ACKNOWLEDGED.


http://www.ccl.net/cgi-bin/ccl/send_ccl_message
http://www.ccl.net/cgi-bin/ccl/send_ccl_message
http://www.ccl.net/chemistry/sub_unsub.shtml
http://www.ccl.net/spammers.txt





Never miss a thing. Make Yahoo your homepage.