First-Principle Calculation on Isotope Effect in KH2PO4 and KD2PO4 of Hydrogen-Bonded Dielectric Materials. Approach with Dynamic Extended Molecular Orbital Method

Author: Tachikawa Masanori   Deguchi Kiyoshi   Ishimoto Takayoshi   Kasatani Hirofumi   Tokiwa Hiroaki  

Publisher: Taylor & Francis Ltd

ISSN: 0015-0193

Source: Ferroelectrics, Vol.268, Iss.1, 2002-01, pp. : 3-9

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Abstract