Coulson-Fischer theory

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 provides a third way in quantum chemistry.^[3]

References

1. ^ C.A. Coulson and I. Fischer, Notes on the Molecular Orbital Treatment of the Hydrogen Molecule, Philos. 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)
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)