Linear Combination of Atomic Orbitals

In summary, Daniel is looking for a reference that will cover LCAO approximation. He suggests checking out some books from the library, as well as searching online.
  • #1
danoonez
12
0
Is anybody familiar with LCAO approximation? I'm working on my last problem for this assignment and the class text doesn't really cover it enough for me nor do my reference texts cover it enough. Does anybody know any good references so I can read more on LCAO approximation? Thanks.
 
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  • #2
The 2 volumes of Cohen-Tannoudji on Quantum Mechanics certainly cover chemical bonds...

1. Quantum Chemistry , H. Eyring, J. Walter, and G. E. Kimball, J. Wiley
and Sons, New York, N.Y. (1947)- EWK.
2. Quantum Chemistry , D. A. McQuarrie, University Science Books, Mill Valley, Ca.
(1983)- McQuarrie.
3. Molecular Quantum Mechanics , P. W. Atkins, Oxford Univ. Press, Oxford, England
(1983)- Atkins.
4. The Fundamental Principles of Quantum Mechanics , E. C. Kemble, McGraw-Hill, New
York, N.Y. (1937)- Kemble.
5. The Theory of Atomic Spectra , E. U. Condon and G. H. Shortley, Cambridge Univ.
Press, Cambridge, England (1963)- Condon and Shortley.
6. The Principles of Quantum Mechanics , P. A. M. Dirac, Oxford Univ. Press, Oxford,
England (1947)- Dirac.
7. Molecular Vibrations , E. B. Wilson, J. C. Decius, and P. C. Cross, Dover Pub., New
York, N. Y. (1955)- WDC.
8. Chemical Applications of Group Theory , F. A. Cotton, Interscience, New York, N. Y.
(1963)- Cotton.
9. Angular Momentum , R. N. Zare, John Wiley and Sons, New York, N. Y. (1988)-
Zare.

You must find something there,i'm sure.

And it wouldn't hurt checking online reference,as well.Just google LCAO.

Daniel.
 
  • #3
Hmm, I have the Dirac text on my bookshelf. I will go back and look through it. Thanks!
 
  • #4
If u don't find it in Dirac's text,then choose another one,preferably chemistry oriented.

Daniel.
 
  • #5
You mean Huckel Theory and EHT? We skipped that section in our P. Chem class.
 
  • #6
That's exactly what he meant.You probably did Heitler-London's theory.

Daniel.
 
  • #7
dextercioby said:
If u don't find it in Dirac's text,then choose another one,preferably chemistry oriented.

Daniel.

That's not what I was hoping to hear. I'll check the Dirac text.
 
  • #8
I don't have the book by Dirac.So that's why i couldn't tell if it was there or not.For what it's worth,i doubt it.

Daniel.
 

Related to Linear Combination of Atomic Orbitals

What is a linear combination of atomic orbitals?

A linear combination of atomic orbitals (LCAO) is a mathematical approach used to describe the molecular orbitals in a molecule. It involves combining individual atomic orbitals to create new molecular orbitals that are a linear combination of the original orbitals.

How is LCAO used in molecular orbital theory?

In molecular orbital theory, LCAO is used to determine the energy and shape of molecular orbitals, which in turn affects the chemical and physical properties of a molecule. It also helps to explain the bonding and structure of molecules.

What are the limitations of LCAO?

One limitation of LCAO is that it assumes the atomic orbitals are static and do not change when combined. It also does not take into account the effects of electron-electron repulsion, which can affect the shape and energy of molecular orbitals.

How does LCAO differ from Valence Bond Theory?

LCAO is a mathematical approach that combines atomic orbitals to form molecular orbitals, while Valence Bond Theory describes bonding as the overlap of atomic orbitals. LCAO is more widely used in modern chemistry as it provides a more accurate description of molecular orbitals.

What is the significance of LCAO in chemistry?

LCAO is a fundamental concept in the study of molecular orbitals and plays a crucial role in understanding the chemical and physical properties of molecules. It helps to explain the stability and reactivity of molecules and is used in various fields of chemistry, such as organic chemistry and quantum chemistry.

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