INTRUDER STATES AND INCOMPLETE MODEL SPACES IN MULTIREFERENCE COUPLED-CLUSTER THEORY - THE 2P2 STATES OF BE

被引:69
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作者
KALDOR, U
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10.1103/PhysRevA.38.6013
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O43 [光学];
学科分类号
070207 ; 0803 ;
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页码:6013 / 6016
页数:4
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