ABINITIO CI INVESTIGATION OF THE INTERACTION OF A HYDROGEN-ATOM WITH CLUSTERS WHICH MODEL THE (100) AND (110) SURFACES OF BCC LI-LATTICE

被引：62

作者：

BECKMANN, HO

KOUTECKY, J

机构：

来源：

SURFACE SCIENCE | 1982年 / 120卷 / 01期

关键词：

D O I：

10.1016/0039-6028(82)90278-3

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：127 / 149

页数：23

相关论文

共 28 条

[1] ABINITIO SCF AND CEPA INVESTIGATIONS OF STABLE LITHIUM CLUSTERS
BECKMANN, HO
KOUTECKY, J
BOTSCHWINA, P
MEYER, W
[J]. CHEMICAL PHYSICS LETTERS, 1979, 67 (01) : 119 - 126
[2] ELECTRONIC AND GEOMETRIC STRUCTURE OF LI-4 AND NA-4 CLUSTERS
BECKMANN, HO
KOUTECKY, J
BONACICKOUTECKY, V
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) : 5182 - 5190
[3] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
BUENKER, RJ
PEYERIMH.SD
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
[4] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES
BUENKER, RJ
PEYERIMHOFF, SD
BUTSCHER, W
[J]. MOLECULAR PHYSICS, 1978, 35 (03) : 771 - 791
[5] NEW DIATOMICS-IN-MOLECULES STUDY OF LI-3 AND LI-4
COMPANION, AL
[J]. CHEMICAL PHYSICS LETTERS, 1978, 56 (03) : 500 - 502
[6] APPLICATIONS OF DIATOMICS-IN-MOLECULES THEORY .2. PREDICTION OF A STABLE LI3 MOLECULE
COMPANION, AL
STEIBLE, DJ
STARSHAK, AJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3637 - +
[7] DAVIS DW, 1967, CHEM PHYS, V12, P45
[8] DOHNERT D, 1980, J AM CHEM SOC, V102, P1789
[9] Dunning T., 1977, METHODS ELECT STRUCT, P1
[10] THE ELECTRONIC-STRUCTURE OF SMALL METALLIC CLUSTERS .5. A SCF-CI CALCULATION OF THE INTERACTION OF MOLECULAR-HYDROGEN WITH A LI4 CLUSTER
FANTUCCI, P
PACCHIONI, G
[J]. JOURNAL OF MOLECULAR CATALYSIS, 1981, 13 (03): : 379 - 388