MIXED CU SIMPLE METAL DIMERS AND TRIMERS - CULI, CULI2, CUNA, CUK, CUBE, CUBE2, CU2BE, CUAL, AND CUAL2

被引:37
作者
BAUSCHLICHER, CW
LANGHOFF, SR
PARTRIDGE, H
WALCH, SP
机构
[1] NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
[2] ELORET INST, SUNNYVALE, CA 94087 USA
关键词
D O I
10.1063/1.452536
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:5603 / 5612
页数:10
相关论文
共 43 条
[1]   THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].
AHLRICHS, R ;
SCHARF, P ;
EHRHARDT, C .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898
[2]   IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205 [J].
AHLRICHS, R ;
BOHM, HJ ;
EHRHARDT, C ;
SCHARF, P ;
SCHIFFER, H ;
LISCHKA, H ;
SCHINDLER, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (03) :200-208
[3]   CO-ADSORPTION OF WATER AND IONS ON CU(110) - MODELS FOR THE DOUBLE-LAYER [J].
BANGE, K ;
GRIDER, D ;
SASS, JK .
SURFACE SCIENCE, 1983, 126 (1-3) :437-443
[4]   ON HYBRIDIZATION AND BONDING IN THE ALKALINE-EARTHS - BE, MG, AND CA [J].
BAUSCHLICHER, CW ;
BAGUS, PS ;
COX, BN .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4032-4038
[5]   ABINITIO STUDY OF THE ALKALI AND ALKALINE-EARTH MONOHYDROXIDES [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR ;
PARTRIDGE, H .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (02) :901-909
[6]   ELECTRONIC-STRUCTURE AND REACTIVITY OF THE TRANSITION-METAL LITHIDES SCLI, CULI AND PDLI [J].
BECKMANN, HO ;
PACCHIONI, G ;
JEUNG, GH .
CHEMICAL PHYSICS LETTERS, 1985, 116 (05) :423-428
[7]  
BECKMANN HO, 1986, CHEM PHYS LETT, V84, P2734
[8]   ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&
[9]  
BROWNING R, COMMUNICATION