CASSCF-CI POTENTIAL CURVES OF HCL2+

被引:28
作者
OLSSON, BJ
LARSSON, M
机构
关键词
D O I
10.1088/0022-3700/20/5/001
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
引用
收藏
页码:L137 / L141
页数:5
相关论文
共 30 条
[21]   ACCURATE 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-3 [J].
SIEGBAHN, P ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2457-2465
[22]   THE COMPLETE ACTIVE SPACE SCF (CASSCF) METHOD IN A NEWTON-RAPHSON FORMULATION WITH APPLICATION TO THE HNO MOLECULE [J].
SIEGBAHN, PEM ;
ALMLOF, J ;
HEIBERG, A ;
ROOS, BO .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (04) :2384-2396
[23]   THE EXTERNALLY CONTRACTED CI METHOD APPLIED TO N-2 [J].
SIEGBAHN, PEM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (06) :1869-1889
[24]   HIGH KINETIC-ENERGY N+ IONS FROM DECAY OF DOUBLY IONIZED N-2 [J].
STOCKDALE, JAD .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) :1792-1794
[25]   DOUBLY POSITIVE DIATOMIC-MOLECULES .1. N-2(2+) [J].
TAYLOR, PR .
MOLECULAR PHYSICS, 1983, 49 (06) :1297-1314
[26]   CONFIGURATION INTERACTION STUDIES OF BOUND, LOW-LYING STATES OF N-2(-), N-2, N-2(+) AND N-2(2+) [J].
THULSTRUP, EW ;
ANDERSEN, A .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1975, 8 (06) :965-976
[27]   CONFIGURATION INTERACTION CALCULATIONS OF SOME OBSERVED STATES OF NO-, NO, NO+, AND NO2+ [J].
THULSTRUP, PQ ;
THULSTRUP, EW ;
ANDERSEN, A ;
OHRN, Y .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (10) :3975-3980
[28]   SIGMA-MOLECULAR STATES FOR (BAH)2+, (BALI)2+, (BANA)2+, (BAK)2+, (BARB)2+ [J].
VALANCE, A ;
BERNIER, A ;
BERGERON, H .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1986, 19 (06) :857-871
[29]   A THEORETICAL INVESTIGATION OF THE CH2+ DI-CATION [J].
WETMORE, RW ;
BOYD, RK ;
LEROY, RJ .
CHEMICAL PHYSICS, 1984, 89 (03) :329-336
[30]   THEORETICAL INVESTIGATION OF THE DIATOMIC DICATION CO-2+ [J].
WETMORE, RW ;
LEROY, RJ ;
BOYD, RK .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (25) :6318-6328