Physics
Scientific paper
Nov 1986
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1986jpsj...55.3806a&link_type=abstract
Journal of the Physical Society of Japan, Volume 55, Issue 11, pp. 3806 (1986).
Physics
9
Scientific paper
Molecular effects on the β-ray spectra of triton decay are carefully estimated for two alkane molecules, CH3T and CH3-CHT-CH3 in the sudden approximation by ab initio SCF-MO methods. (1) The basis set dependence of transition probabilities is examined for CH3T using four types of basis sets of the double zeta quality with and without diffuse and polarization functions. (2) The excitation energy spectrum for the transition of CH3-CHT-CH3 is shown to have two broad peaks at ˜20 eV and 35 eV corresponding to the molecular excitations, which is rather similar to the distribution for valine II obtained by Kaplan et al. (3) The validity of the adopted basis set is also checked for the case of propane by examining the saturation of the unitarity and of the sum rules for the excitation energy. The rate of the two-particle excitation turns out to be 4.8%, the inclusion of which improves the saturation of the unitarity to 98.6%.
Arafune Jiro
Koga Nobuaki
Morokuma Keiji
Watanabe Tadashi
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