BONDING AND STABILITIES OF SMALL SILICON CLUSTERS - A THEORETICAL-STUDY OF SI7-SI10

被引:449
作者
RAGHAVACHARI, K [1 ]
ROHLFING, CM [1 ]
机构
[1] SANDIA NATL LABS,DIV THEORET,LIVERMORE,CA 94550
关键词
D O I
10.1063/1.455065
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:2219 / 2234
页数:16
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共 74 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]   DISSOCIATIVE CHEMISORPTION OF H-2 ON NIOBIUM CLUSTER IONS - A SUPERSONIC CLUSTER BEAM FT-ICR EXPERIMENT [J].
ALFORD, JM ;
WEISS, FD ;
LAAKSONEN, RT ;
SMALLEY, RE .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (19) :4480-4482
[3]  
ASHCROFT NW, 1976, SOLID STATE PHYS, P566
[4]   AG7 CLUSTER - PENTAGONAL BIPYRAMID [J].
BACH, SBH ;
GARLAND, DA ;
VANZEE, RJ ;
WELTNER, W .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) :869-872
[5]   CAS SCF/CI CALCULATIONS ON SI-4 AND SI-4+ [J].
BALASUBRAMANIAN, K .
CHEMICAL PHYSICS LETTERS, 1987, 135 (03) :283-287
[6]   CAS SCF/CI CALCULATIONS OF LOW-LYING STATES AND POTENTIAL-ENERGY SURFACES OF SI3 [J].
BALASUBRAMANIAN, K .
CHEMICAL PHYSICS LETTERS, 1986, 125 (04) :400-406
[7]   EQUILIBRIUM STRUCTURES AND FINITE TEMPERATURE PROPERTIES OF SILICON MICROCLUSTERS FROM ABINITIO MOLECULAR-DYNAMICS CALCULATIONS [J].
BALLONE, P ;
ANDREONI, W ;
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1988, 60 (04) :271-274
[8]  
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[9]   ABINITIO CALCULATIONS ON C2, SI2, AND SIC [J].
BAUSCHLICHER, CW ;
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2919-2924
[10]  
BEGEMANN W, IN PRESS ELEMENTAL M