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Additionally, valence bond theory cannot explain electronic transitions and spectroscopic properties as effectively as MO theory. Furthermore, while VBT employs hybridization to explain bonding, it can oversimplify complex bonding situations, limiting its applicability in more intricate molecular geometries such as transition metal compounds. [11]
The Hartree–Fock electronic wave function is then the Slater determinant constructed from these orbitals. Following the basic postulates of quantum mechanics, the Hartree–Fock wave function can then be used to compute any desired chemical or physical property within the framework of the Hartree–Fock method and the approximations employed.
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.
In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics.It was proposed early in the 20th century.
Possible geometries for steric numbers of 10, 11, 12, or 14 are bicapped square antiprismatic (or bicapped dodecadeltahedral), octadecahedral, icosahedral, and bicapped hexagonal antiprismatic, respectively.
Llewellyn Thomas (1903 – 1992). In physics, the Thomas precession, named after Llewellyn Thomas, is a relativistic correction that applies to the spin of an elementary particle or the rotation of a macroscopic gyroscope and relates the angular velocity of the spin of a particle following a curvilinear orbit to the angular velocity of the orbital motion.
The phenomenology of quantum physics arose roughly between 1895 and 1915, and for the 10 to 15 years before the development of quantum mechanics (around 1925) physicists continued to think of quantum theory within the confines of what is now called classical physics, and in particular within the same mathematical structures.
In molecular physics, crystal field theory (CFT) describes the breaking of degeneracies of electron orbital states, usually d or f orbitals, due to a static electric field produced by a surrounding charge distribution (anion neighbors).