Coulson–Fischer theory

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Electronic structure methods
Valence bond theory
Coulson–Fischer theory
Generalized valence bond
Modern valence bond
Molecular orbital theory
Hartree–Fock method
Semi-empirical quantum chemistry methods
Møller–Plesset perturbation theory
Configuration interaction
Coupled cluster
Multi-configurational self-consistent field
Quantum chemistry composite methods
Quantum Monte Carlo
Density functional theory
Time-dependent density functional theory
Thomas–Fermi model
Orbital-free density functional theory
Electronic band structure
Nearly free electron model
Tight binding
Muffin-tin approximation
k·p perturbation theory
Empty lattice approximation
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In theoretical chemistry and molecular physics, Coulson–Fischer theory provides a quantum mechanical description of the electronic structure of molecules. The 1949 seminal work of Coulson and Fischer[1] established a theory of molecular electronic structure which combines the strengths of the two rival theories which emerged soon after the advent of quantum chemistry - valence bond theory and molecular orbital theory, whilst avoiding many of their weaknesses. For example, unlike the widely used Hartree–Fock molecular orbital method, Coulson–Fischer theory provides a qualitatively correct description of molecular dissociative processes.[2] The Coulson–Fischer wave function has been said to provide a third way in quantum chemistry.[3] Modern valence bond theory is often seen as an extension of the Coulson–Fischer method.

References[]

  1. ^ C.A. Coulson and I. Fischer, Notes on the Molecular Orbital Treatment of the Hydrogen Molecule, Phil. Mag. 40, 386 (1949)
  2. ^ S. Wilson and J. Gerratt, Calculation of potential energy curves for the ground state of the hydrogen molecule, Molec. Phys. 30, 777 (1975) https://doi.org/10.1080/14786444908521726
  3. ^ S. Wilson, On the Wave Function of Coulson and Fischer: A Third Way in Quantum Chemistry, in Advances in the Theory of Atomic and Molecular Systems, ed. P. Piecuch, J. Maruani, G. Delgado-Barrio and S. Wilson, Progress in Theoretical Chemistry and Physics 19, Springer (2009)

External link[]

  • Stephen Wilson. "The Coulson-Fischer theory of molecular electronic structure". Retrieved 2020-11-20.


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