- #1
gjfelix2006
- 11
- 0
Hi, i am looking for papers, books, etc, related with the Density functional theory, and Kohn Sham equations, i appreciate any help. Thanks. 
Density functional theory, and Kohn Sham equations
- Context: Graduate
- Thread starter gjfelix2006
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Discussion Overview
The discussion centers on Density Functional Theory (DFT) and the Kohn-Sham equations, with participants seeking resources such as papers and books related to these topics. The scope includes theoretical foundations and applications in quantum chemistry.
Discussion Character
- Exploratory, Technical explanation, Conceptual clarification
Main Points Raised
- One participant requests help finding papers and books on DFT and Kohn-Sham equations.
- Another participant questions the initial request, suggesting that the requester should clarify their previous search efforts and access to journals.
- A participant recommends the Atkins book for its derivation of ab initio methods related to DFT.
- Another participant emphasizes the importance of understanding the Hartree-Fock formalism as a basis for DFT and suggests reading general quantum chemistry texts that address Hartree-Fock mathematically.
Areas of Agreement / Disagreement
Participants do not appear to reach a consensus on specific resources, and multiple viewpoints regarding the foundational understanding of DFT and its relation to Hartree-Fock are presented.
Contextual Notes
Some assumptions about the requester's prior knowledge and access to resources remain unaddressed, and there is no resolution on the best resources for understanding DFT.
- #2
- 32,819
- 4,723
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.
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.
- #3
quetzalcoatl9
- 535
- 1
The Atkins book is pretty good about deriving the ab initio methods.
- #4
raman
- 8
- 0
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
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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