Coulson-Fischer theory

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)

Wikimedia Foundation. 2010.

Игры ⚽ Нужно решить контрольную?

Look at other dictionaries:

  • Modern valence bond theory — is the term used to describe applications of valence bond theory with computer programs that are competitive in accuracy and economy with programs for the Hartree Fock method and other molecular orbital based methods. The latter methods dominated …   Wikipedia

  • Charles Coulson — Born 13 December 1910(1910 12 13) Died 7 January 1974(1974 01 07) (aged 63) …   Wikipedia

  • Davy Medal — Robert Bunsen and Gustav Kirchhoff, the first recipients of the award. They were awarded the medal for their researches discoveries in spectrum analysis . The Davy Medal is awarded by the Royal Society of London for an out …   Wikipedia

  • Sexuelle Selektion — Die Sexuelle Selektion (lateinisch selectio ‚Auslese‘) ist eine innerartliche Selektion, die auf körperliche Merkmale wirkt und durch Varianz im Fortpflanzungserfolg zwischen Mitgliedern desselben Geschlechts entsteht.[1] Diese… …   Deutsch Wikipedia

  • Timeline of biology and organic chemistry — A timeline of significant events in biology and organic chemistryBefore 1600* c. 450 B.C. Sushruta writes the Sushruta Samhita , describing over 120 surgical instruments and 300 surgical procedures, classifies human surgery in 8 categories, and… …   Wikipedia

  • Multi-configurational self-consistent field — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …   Wikipedia

  • The Woodlands High School — Address 6101 Research Forest Drive The Woodlands, Texas, 77381 United States Information School type Public high school …   Wikipedia

  • International Academy of Quantum Molecular Science — The International Academy of Quantum Molecular Science is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were… …   Wikipedia

Share the article and excerpts

Direct link
Do a right-click on the link above
and select “Copy Link”