Density functional theory, and Kohn Sham equations

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SUMMARY

The discussion centers on resources related to Density Functional Theory (DFT) and Kohn-Sham equations. Participants recommend searching for academic papers, specifically mentioning arXiv links for foundational research. The Atkins book is highlighted as a valuable resource for understanding ab initio methods, while the Hartree-Fock formalism is identified as crucial for grasping DFT's advantages. A solid understanding of quantum chemistry is essential for a comprehensive grasp of these concepts.

PREREQUISITES
  • Understanding of Density Functional Theory (DFT)
  • Familiarity with Kohn-Sham equations
  • Knowledge of Hartree-Fock formalism
  • Basic principles of quantum chemistry
NEXT STEPS
  • Research academic papers on arXiv related to Density Functional Theory
  • Read the Atkins book on ab initio methods
  • Study Hartree-Fock formalism in detail
  • Explore advanced quantum chemistry textbooks for deeper insights
USEFUL FOR

Researchers, physicists, and students in the fields of quantum chemistry and condensed matter physics seeking to deepen their understanding of Density Functional Theory and Kohn-Sham equations.

gjfelix2006
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Hi, i am looking for papers, books, etc, related with the Density functional theory, and Kohn Sham equations, i appreciate any help. Thanks. :rolleyes:
 
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gjfelix2006 said:
Hi, i am looking for papers, books, etc, related with the Density functional theory, and Kohn Sham equations, i appreciate any help. Thanks. :rolleyes:

Er... you should explain a little bit more here. Did you try looking for them yourself and couldn't find them? Do you have access to physics journals? If you don't, there's no point in people giving you references to those. If you do, did you try doing your own search and didn't find any? Etc etc...

There are many available on the web from just a simple search:

http://arxiv.org/abs/cond-mat/0211443
http://xxx.lanl.gov/abs/physics/9806013

Zz.
 
The Atkins book is pretty good about deriving the ab initio methods.
 
The basis of understanding DFT is hatree-fock formalism. Therefore if you want to get complete picture of how DFT gets around problems of hatree-fock, i would recomment you to read any general book on quantum chemistry which treats hatree-fock mathematically.
Its a brave step to start from the very basic steps of its formalism but it pays well in seeing thebig picture.

good luck
 

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