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  2. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    The impact of valence theory declined during the 1960s and 1970s as molecular orbital theory grew in usefulness as it was implemented in large digital computer programs. Since the 1980s, the more difficult problems, of implementing valence bond theory into computer programs, have been solved largely, and valence bond theory has seen a ...

  3. Modern valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Modern_valence_bond_theory

    Modern valence bond theory is the application of valence bond theory (VBT) with computer programs that are competitive in accuracy and economy, with programs for the Hartree–Fock or post-Hartree-Fock methods. The latter methods dominated quantum chemistry from the advent of digital computers because they were easier to program. The early ...

  4. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Molecular orbital theory was seen as a competitor to valence bond theory in the 1930s, before it was realized that the two methods are closely related and that when extended they become equivalent. Molecular orbital theory is used to interpret ultraviolet–visible spectroscopy (UV–VIS).

  5. Resonating valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Resonating_valence_bond_theory

    In condensed matter physics, the resonating valence bond theory (RVB) is a theoretical model that attempts to describe high-temperature superconductivity, and in particular the superconductivity in cuprate compounds. It was first proposed by an American physicist P. W. Anderson and Indian theoretical physicist Ganapathy Baskaran in 1987.

  6. Generalized valence bond - Wikipedia

    en.wikipedia.org/wiki/Generalized_valence_bond

    The generalized valence bond (GVB) is a method in valence bond theory that uses flexible orbitals in the general way used by modern valence bond theory. The method was developed by the group of William A. Goddard, III around 1970. [1] [2]

  7. Valence (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Valence_(chemistry)

    The quest for the underlying causes of valence led to the modern theories of chemical bonding, including the cubical atom (1902), Lewis structures (1916), valence bond theory (1927), molecular orbitals (1928), valence shell electron pair repulsion theory (1958), and all of the advanced methods of quantum chemistry.

  8. Configuration interaction - Wikipedia

    en.wikipedia.org/wiki/Configuration_interaction

    Valence bond theory; Coulson–Fischer theory Generalized valence bond Modern valence bond theory: 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

  9. Bent's rule - Wikipedia

    en.wikipedia.org/wiki/Bent's_rule

    The assumption that a covalent bond is a linear combination of atomic orbitals of just the two bonding atoms is an approximation (see molecular orbital theory), but valence bond theory is accurate enough that it has had and continues to have a major impact on how bonding is understood. [1]