THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY

被引:317
作者
BRUNA, PJ [1 ]
PEYERIMHOFF, SD [1 ]
BUENKER, RJ [1 ]
机构
[1] GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
关键词
D O I
10.1016/0009-2614(80)80291-0
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:278 / 284
页数:7
相关论文
共 14 条
[11]   POTENTIAL-ENERGY CURVES OF THE LOWER STATES OF CN+ [J].
MURRELL, JN ;
ALDERZI, A ;
TENNYSON, J ;
GUEST, MF .
MOLECULAR PHYSICS, 1979, 38 (06) :1755-1760
[12]   STUDY OF CONVERGENCE IN ITERATIVE NATURAL ORBITAL PROCEDURES [J].
THUNEMANN, KH ;
ROMELT, J ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (05) :743-752
[13]   SCF POTENTIAL-ENERGY CURVES OF CN+ - IDENTITY OF GROUND-STATE [J].
WU, AA .
CHEMICAL PHYSICS LETTERS, 1978, 59 (03) :457-460
[14]   CL PROCEDURE USING SCF MOS AS BASIS FUNCTIONS - APPLICATION TO HNO AND NCO+ [J].
WU, AA .
CHEMICAL PHYSICS, 1977, 21 (02) :173-186