EFFECTS OF OUTER-SHELL ORBITALS ON HARTREE-FOCK ENERGIES

被引:0
|
作者
NAKATSUJI, H [1 ]
MUSHER, JI [1 ]
机构
[1] YESHIVA UNIV, BELFER GRAD SCH SCI, NEW YORK, NY 10033 USA
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中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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页码:77 / 80
页数:4
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