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- W2183632060 abstract "The ground electronic state of the F center in CaF 2 crystal, its optical absorption energy, the activation energy of thermal diffusion and M center dissociation to pair of F centers are calculated using the Hartree-Fock embedded molecular cluster method. Different pseudopotentials, basis sets, boundary conditions and two computer codes EMBED96 and Gaussian94 are employed and their results compared." @default.
- W2183632060 created "2016-06-24" @default.
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- W2183632060 date "1997-01-01" @default.
- W2183632060 modified "2023-09-27" @default.
- W2183632060 title "ABINITIO STUDY OF THE F CENTERS IN CaF2: CALCULATIONS OF THE OPTICAL ABSORPTION, DIFFUSION AND BINDING ENERGIES" @default.
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