MRD-CI-STUDY OF THE POSITIVE MOLECULAR-IONS ARHE+ AND ARHE2+

被引:16
作者
STARK, D
PEYERIMHOFF, SD
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D O I
10.1080/00268978600102701
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:1241 / 1258
页数:18
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共 23 条
[1]   A THEORETICAL-STUDY OF THE NONADIABATIC CHARGE-TRANSFER PROCESS AR2+(3P)+HE(1S)-]AR+(2P)+HE+(2S) [J].
BRAGA, JP ;
KNOWLES, DB ;
MURRELL, JN .
MOLECULAR PHYSICS, 1986, 57 (04) :665-674
[2]   THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
CHEMICAL PHYSICS LETTERS, 1980, 72 (02) :278-284
[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
[5]   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
[6]  
BUENKER RJ, 1981, NATO ADV SCI INST C, V67, P55
[7]  
BUENKER RJ, 1983, 4TH P INT C QUANT CH, P183
[8]   COMPARISON OF PERTURBATIVELY CORRECTED MRD CI RESULTS WITH A FULL CI TREATMENT OF THE BH GROUND-STATE [J].
BURTON, PG ;
BUENKER, RJ ;
BRUNA, PJ ;
PEYERIMHOFF, SD .
CHEMICAL PHYSICS LETTERS, 1983, 95 (4-5) :379-385
[9]  
DARBOWSKI J, 1981, J MOL SPECTROSC, V89, P491
[10]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&