LCAO-X-ALPHA CALCULATIONS OF TRANSITION-METAL CLUSTERS

被引:53
作者
SEIFERT, G [1 ]
ESCHRIG, H [1 ]
机构
[1] ACAD SCI GDR,ZENT INST FESTKORPERPHYS & WERKSTOFFORSCH,DDR-8027 DRESDEN,GER DEM REP
来源
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1985年 / 127卷 / 02期
关键词
D O I
10.1002/pssb.2221270218
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:573 / 585
页数:13
相关论文
共 51 条
[31]  
JOHNSON KH, 1967, INT J QUANTUM CHEM, V1, P361
[32]   MOLECULAR BONDING IN GROUP-IIA DIMERS BE2-BA2 [J].
JONES, RO .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (03) :1300-1308
[33]   AB-INITIO STUDY OF CU2 AND CU2+ [J].
JOYES, P ;
LELEYTER, M .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (01) :150-154
[34]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&
[35]   MOLECULAR-ORBITAL STUDIES OF TRANSITION-METAL AND NOBLE-METAL CLUSTERS BY SELF-CONSISTENT-FIELD CHIALPHA SCATTERED-WAVE METHOD [J].
MESSMER, RP ;
KNUDSON, SK ;
JOHNSON, KH ;
DIAMOND, JB ;
YANG, CY .
PHYSICAL REVIEW B, 1976, 13 (04) :1396-1415
[36]  
MORUZZI VL, 1978, CALCULATED ELECTRONI
[37]  
Muller H., 1980, Wissenschaftliche Zeitschrift der Friedrich-Schiller-Universitaet Jena, Mathematisch-Naturwissenschaftliche Reihe, V29, P665
[38]  
MULLER H, 1981, Z PHYS CHEM-LEIPZIG, V262, P1073
[39]   SUPERSONIC COPPER CLUSTERS [J].
POWERS, DE ;
HANSEN, SG ;
GEUSIC, ME ;
MICHALOPOULOS, DL ;
SMALLEY, RE .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :2866-2881
[40]  
Rosch N., 1977, ELECTRONS FINITE INF, P1