ABINITIO CALCULATION OF POTENTIAL-ENERGY SURFACE OF SYSTEM LI+-CO

被引:53
作者
STAEMMLER, V [1 ]
机构
[1] RUHR UNIV BOCHUM, LEHRSTUHL THEORET CHEM, D-4630 BOCHUM, FED REP GER
关键词
D O I
10.1016/0301-0104(76)80100-0
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:187 / 196
页数:10
相关论文
共 28 条
[1]  
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2]   PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES [J].
AHLRICHS, R ;
LISCHKA, H ;
STAEMMLER, V ;
KUTZELNIGG, W .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1225-1234
[3]  
BILLINGS.FP, 1974, J CHEM PHYS, V60, P4130, DOI 10.1063/1.1680880
[4]   QUADRUPOLE-MOMENT OF CO, N2, AND NO+] [J].
BILLINGSLEY, FP ;
KRAUSS, M .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2767-2772
[5]  
BOTTNER R, 1973, FARADAY DISCUSS, V55, P221
[6]  
BOTTNER R, COMMUNICATION
[7]  
BOTTNER R, TO BE PUBLISHED
[8]  
BOTTNER R, 1974, THESIS GOTTINGEN
[9]   AB-INITIO INVESTIGATION OF HCO+ AND COH+ MOLECULE-IONS - STRUCTURE AND POTENTIAL SURFACES FOR DISSOCIATION IN GROUND AND EXCITED-STATES [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
CHEMICAL PHYSICS, 1975, 10 (2-3) :323-334
[10]   MEASUREMENTS OF DIFFERENTIAL CROSS-SECTIONS FOR VIBRATIONAL QUANTUM TRANSITIONS IN SCATTERING OF LI+ ON H2 [J].
DAVID, R ;
FAUBEL, M ;
TOENNIES, JP .
CHEMICAL PHYSICS LETTERS, 1973, 18 (01) :87-90