Where can I find sources for LCAO theory?

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Discussion Overview

The discussion centers around finding sources for tight-binding (LCAO) theory, specifically focusing on the use of orbitals, atomic positions, and angles between orbitals for calculating resonance and overlap integrals. The scope includes theoretical references and textbooks relevant to quantum chemistry.

Discussion Character

  • Exploratory, Technical explanation

Main Points Raised

  • One participant requests recommendations for sources on tight-binding (LCAO) theory, emphasizing the need for specific information on orbitals and integrals.
  • Another participant suggests a book titled "Atoms and Molecules" by Weissbluth, noting it likely covers relevant topics, although they have not read it.
  • A third participant recommends "Quantum Chemistry" by John P. Lowe, stating it includes coverage of LCAO, SCF, and MO methods in Chapter 11.
  • A later reply reiterates the recommendation for "Quantum Chemistry" by John P. Lowe, expressing gratitude for the suggestion.

Areas of Agreement / Disagreement

Participants provide various sources without any explicit consensus on the best option, indicating multiple competing views on suitable references.

Contextual Notes

Some suggestions are based on assumptions about the content of the recommended books, and there may be limitations in the specificity of the sources provided for the participant's needs.

balkan
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any of you guyes know some decent sources for tight-binding (LCAO) theory?
i wish to use the orbitals and the position of the atoms and the angle between the orbitals for calculating the resonance and overlap integrals, but it's hard to find specific sources... so if you happen to know any sources about this i would be very gratefull if you posted a few links...
 
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This is just a guess...There is a large blue book called something like "Atoms and Molecules" by Weissbluth that probably discusses it. I haven't actually read the book, but it seems to cover so much that I'd be surprised if it didn't have something.
 
Quantum Chemistry by John P. Lowe, 2ed, Academic Press. It covers LCAO, SCF, and MO methods in Chapter 11.
 
Tom Mattson said:
Quantum Chemistry by John P. Lowe, 2ed, Academic Press. It covers LCAO, SCF, and MO methods in Chapter 11.
thanx, m8.
 

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