THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE C-2(+) MOLECULAR ION

被引:91
作者
PETRONGOLO, C [1 ]
BRUNA, PJ [1 ]
PEYERIMHOFF, SD [1 ]
机构
[1] GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
关键词
D O I
10.1063/1.441648
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 ;
摘要
引用
收藏
页码:4594 / 4602
页数:9
相关论文
共 30 条
[1]   REACTIONS OF HYDROCARBON IONS WITH HYDROGEN AND METHANE AT 300 K [J].
ADAMS, NG ;
SMITH, D .
CHEMICAL PHYSICS LETTERS, 1977, 47 (02) :383-387
[2]   AN EXTENSION OF PHILLIPS SYSTEM OF C2 AND A SURVEY OF C2 STATES [J].
BALLIK, EA ;
RAMSAY, DA .
ASTROPHYSICAL JOURNAL, 1963, 137 (01) :84-&
[3]   THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE ISOVALENT DIATOMICS CN+, SI-2, SIC, CP+, AND SIN+ USING THE ABINITIO MRD-CL METHOD [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5437-5445
[4]   THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE CSI+ AND SI-2-(+) MOLECULAR-IONS [J].
BRUNA, PJ ;
PETRONGOLO, C ;
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4611-4620
[5]  
BRUNA PJ, 1978, GAZZ CHIM ITAL, V108, P395
[6]  
BRUNA PJ, 1981, MOL JARS GEOMETRIC E
[7]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[8]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[9]   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
[10]   AB-INITIO VIBRATIONAL ANALYSIS OF SCHUMANN-RUNGE BANDS AND NEIGHBORING ABSORPTION REGION OF MOLECULAR-OXYGEN [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
PERIC, M .
CHEMICAL PHYSICS LETTERS, 1976, 42 (02) :383-389