Directional Compton profiles, valence orbital momentum distributions and B(r) functions for the silane molecule
Neerja; A N Tripathi; Vedene H Smith Jr
Журнал:
Journal of Physics B: Atomic, Molecular and Optical Physics
Дата:
2001-04-14
Аннотация:
Isotropic and directional Compton profiles, momentum densities and various momentum expectation values of the SiH<sub>4</sub> molecule have been evaluated for several wavefunctions at different levels of correlation. Directional components for several directions relevant to the molecular structure of SiH<sub>4</sub> using configuration-interaction wavefunctions are also obtained. Spherically averaged momentum distributions and B(r) functions for the valence orbitals of SiH<sub>4</sub> are also calculated and compared with the measured values obtained from electron momentum spectroscopy.
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