ON THE LOW-LYING STATES OF CUO

被引:64
作者
BAGUS, PS
NELIN, CJ
BAUSCHLICHER, CW
机构
[1] UNIV LUND,S-22101 LUND,SWEDEN
[2] POLYATOM RES INST,MT VIEW,CA 94043
关键词
D O I
10.1063/1.446126
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:2975 / 2981
页数:7
相关论文
共 25 条
[1]   ALKALI OXIDE DIATOMICS - EXPLANATION OF THE CHANGE IN GROUND-STATE SYMMETRY FROM LIO(2-PI) TO CSO(2-SIGMA+) [J].
ALLISON, JN ;
GODDARD, WA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4259-4261
[2]  
ALMLOF J, MOL INTEGRAL PROGRAM
[3]   ELECTRONIC-STRUCTURE OF TRANSITION-METAL HYDRIDES - NIH AND PDH [J].
BAGUS, PS ;
BJORKMAN, C .
PHYSICAL REVIEW A, 1981, 23 (02) :461-472
[4]  
BAGUS PS, ALCHEMY SCF INTEGRAL
[5]   A MODIFIED EFFECTIVE CORE POTENTIAL FOR THE COPPER ATOM - LOW-ENERGY ELECTRONIC STATES OF CUO [J].
BASCH, H ;
OSMAN, R .
CHEMICAL PHYSICS LETTERS, 1982, 93 (01) :51-55
[6]   ON THE NATURE OF THE BONDING IN CU2 [J].
BAUSCHLICHER, CW ;
WALCH, SP .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6015-6017
[7]   THE DISSOCIATION-ENERGY OF CAO [J].
BAUSCHLICHER, CW ;
PARTRIDGE, H .
CHEMICAL PHYSICS LETTERS, 1983, 94 (04) :366-368
[8]   THE DISSOCIATION-ENERGY OF MGO [J].
BAUSCHLICHER, CW ;
LENGSFIELD, BH ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4084-4087
[9]  
BLOMBERG MRA, 1982, MOL PHYS, V11, P1