CONFIGURATION-INTERACTION STUDIES ON THE ELECTRONIC STATES AND STRUCTURE OF PS

被引:17
作者
KARNA, SP
BRUNA, PJ
GREIN, F
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D O I
10.1088/0953-4075/21/8/004
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
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页码:1303 / 1313
页数:11
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[1]   THEORETICAL-STUDY OF THE STABILITY OF MOLECULAR P2, P4 (TD), AND P8 (OH) [J].
AHLRICHS, R ;
BRODE, S ;
EHRHARDT, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) :7260-7264
[2]  
BRUNA PJ, 1986, UNPUB OPTIMISED VALU
[3]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[4]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[6]   APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
BUTSCHER, W .
MOLECULAR PHYSICS, 1978, 35 (03) :771-791
[7]  
BUENKER RJ, 1982, STUDIES PHYSICAL THE, V21, P17
[8]  
BUENKER RJ, 1985, J MOL STRUC-THEOCHEM, V123, P291
[9]  
Buenker RJ, 1980, P WORKSHOP QUANTUM C, P151
[10]   SPECTROSCOPIC IDENTIFICATION OF DIATOMIC PS AND NEW BAND SYSTEMS OF PO AND P2 [J].
DRESSLER, K ;
MIESCHER, E .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1955, 68 (06) :542-544