IONS IN CRYSTALS - CONTRACTED HARTREE-FOCK-ROOTHAAN SCF WAVE FUNCTIONS AND PHYSICAL PROPERTIES

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PASCHALI.E
WEISS, A
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BERICHTE DER BUNSEN-GESELLSCHAFT FUR PHYSIKALISCHE CHEMIE | 1967年 / 71卷 / 08期
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O64 [物理化学(理论化学)、化学物理学];
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070304 ; 081704 ;
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页码:925 / &
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[21]   CALCULATION OF HARMONIC FORCE CONSTANTS FROM HARTREE-FOCK-ROOTHAAN WAVEFUNCTIONS [J].
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