STUDY OF SURFACES AND INTERFACES USING QUANTUM-CHEMISTRY TECHNIQUES

被引:50
作者
GODDARD, WA [1 ]
MCGILL, TC [1 ]
机构
[1] CALTECH,HARRY G STEELE LAB ELECT SCI,PASADENA,CA 91125
来源
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY | 1979年 / 16卷 / 05期
关键词
D O I
10.1116/1.570148
中图分类号
O59 [应用物理学];
学科分类号
摘要
引用
收藏
页码:1308 / 1317
页数:10
相关论文
共 42 条
[1]   SI(100) SURFACE RECONSTRUCTION - SPECTROSCOPIC SELECTION OF A STRUCTURAL MODEL [J].
APPELBAUM, JA ;
BARAFF, GA ;
HAMANN, DR .
PHYSICAL REVIEW LETTERS, 1975, 35 (11) :729-732
[2]   GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293
[3]   BENZENE IN EXTENDED HUCKEL APPROXIMATION - UNEXPECTED GEOMETRY [J].
BLOEMER, WL ;
BRUNER, BL .
CHEMICAL PHYSICS LETTERS, 1972, 17 (03) :452-454
[4]  
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[5]   ENERGY-MINIMIZATION APPROACH TO ATOMIC GEOMETRY OF SEMICONDUCTOR SURFACES [J].
CHADI, DJ .
PHYSICAL REVIEW LETTERS, 1978, 41 (15) :1062-1065
[6]   TOTAL ENERGY IN MULTIPLE-SCATTERING FORMALISM - APPLICATION TO WATER MOLECULE [J].
CONNOLLY, JW ;
SABIN, JR .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5529-&
[7]  
CONNOLLY JWD, 1977, MODERN THEORETICAL A, V7, P105
[8]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[9]  
Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1