THEORETICAL ASPECTS OF METAL ATOM CLUSTERS

被引:322
作者
KOUTECKY, J [1 ]
FANTUCCI, P [1 ]
机构
[1] UNIV MILAN, CTR CNR, DIPARTIMENTO CHIM INORGAN & METALLORGAN, I-20133 MILANO, ITALY
关键词
D O I
10.1021/cr00073a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:539 / 587
页数:49
相关论文
共 392 条
[101]   THEORETICAL METHOD TO DETERMINE ATOMIC PSEUDOPOTENTIALS FOR ELECTRONIC-STRUCTURE CALCULATIONS OF MOLECULES AND SOLIDS [J].
DURAND, P ;
BARTHELAT, JC .
THEORETICA CHIMICA ACTA, 1975, 38 (04) :283-302
[102]   ELECTRON CORRELATION IN SMALL METAL CLUSTERS - APPLICATION OF A THEORY OF SELF-CONSISTENT ELECTRON PAIRS TO BE-4 SYSTEM [J].
DYKSTRA, CE ;
SCHAEFER, HF ;
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5141-5146
[103]   MAGIC NUMBERS FOR SPHERE PACKINGS - EXPERIMENTAL-VERIFICATION IN FREE XENON CLUSTERS [J].
ECHT, O ;
SATTLER, K ;
RECKNAGEL, E .
PHYSICAL REVIEW LETTERS, 1981, 47 (16) :1121-1124
[106]  
EKARDT W, 1984, PHYS REV B, V29, P1558, DOI 10.1103/PhysRevB.29.1558
[107]  
ELFREMOV YM, 1978, J MOL SPECTROSC, V73, P430
[108]   ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .4. POTENTIAL-ENERGY CURVES FOR THE GROUND AND SEVERAL EXCITED-STATES OF AU2 [J].
ERMLER, WC ;
LEE, YS ;
PITZER, KS .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) :293-298
[109]  
EWING CS, 1975, J CHEM PHYS, V63, P4035
[110]   USEFULNESS OF MODIFIED VIRTUAL ORBITALS IN MULTIREFERENCE CI PROCEDURE ILLUSTRATED BY CALCULATIONS ON LITHIUM CLUSTERS [J].
FANTUCCI, P ;
BONACICKOUTECKY, V ;
KOUTECKY, J .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (05) :462-468