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pro vyhledávání: '"Yukiumi Kita"'
Publikováno v:
Journal of Physics: Conference Series. 1412:142013
Synopsis The anharmonic vibrational state theory based on quantum Monte Carlo method is one of the most accurate methods to solve a vibrational Schrödinger equation of molecular systems. In anharmonic vibrational state analyses, one should take acco
Publikováno v:
Journal of Physics: Conference Series. 1412:222012
Synopsis We theoretically analyzed the positron affinity (PA) of acetaldehyde molecule at several vibrational excited states toward the elucidation of physical and chemical origin of H/D isotope shift in the molecular PA value. We found that (i) the
Autor:
Yukiumi Kita, Masanori Tachikawa
Publikováno v:
Journal of Physics: Conference Series. 791:012015
We theoretically analyzed the effect of the anharmonicity and the inter-mode couplings of molecular vibrations on a positron affinity (PA), which is the binding energy of a positron, of HCN and CH2O molecules. Based on the different theoretical appro