MOLECULAR-CLUSTER STUDIES OF DEFECTS IN SILICON LATTICES .1. CHOICE OF THE BASIS SET

被引:4
作者
BATTISTONI, C [1 ]
LAPICCIRELLA, A [1 ]
SEMPRINI, E [1 ]
STEFANI, F [1 ]
TOMASSINI, N [1 ]
机构
[1] CNR,IST METODOL AVANZATE INORGAN,I-00016 ROMA,ITALY
来源
NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS | 1984年 / 3卷 / 04期
关键词
D O I
10.1007/BF02457522
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:663 / 672
页数:10
相关论文
共 24 条
[1]   ELECTRON-DIFFRACTION STUDIES OF HYDRIDES SI2H6 AND P2H4 [J].
BEAGLEY, B ;
FREEMAN, JM ;
CONRAD, AR ;
NORTON, BG ;
HOLYWELL, GC ;
MONAGHAN, JJ .
JOURNAL OF MOLECULAR STRUCTURE, 1972, 11 (03) :371-&
[2]  
BINKLEY JS, QCPE368 IND U
[3]   PHOTOELECTRON-SPECTRA AND MOLECULAR-PROPERTIES .51. IONIZATION-POTENTIALS OF SILANES SINH2N+2 [J].
BOCK, H ;
ENSSLIN, W ;
FEHER, F ;
FREUND, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (03) :668-674
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[5]  
FOLL H, 1979, PHILOS MAG A, V40, P497, DOI 10.1080/01418617908234855
[6]   THEORETICAL STUDIES OF SI AND GAAS SURFACES AND INITIAL STEPS IN OXIDATION [J].
GODDARD, WA ;
BARTON, JJ ;
REDONDO, A ;
MCGILL, TC .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1978, 15 (04) :1274-1286
[7]   STUDY OF SURFACES AND INTERFACES USING QUANTUM-CHEMISTRY TECHNIQUES [J].
GODDARD, WA ;
MCGILL, TC .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1979, 16 (05) :1308-1317
[8]   SECOND ROW MOLECULAR-ORBITAL CALCULATIONS - GEOMETRIES, INTERNAL-ROTATION BARRIERS, AND DIPOLE-MOMENTS OF METHYLSILANE, DISILANE, METHYL MERCAPTAN, AND METHYLPHOSPHINE [J].
GORDON, MS ;
NEUBAUER, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (18) :5690-5693
[9]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .4. [J].
HUZINAGA, S ;
ARNAU, C .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :348-&
[10]   UNIFORM QUALITY GAUSSIAN BASIS SETS FOR ORGANOSILICON COMPOUNDS [J].
MEZEY, PG ;
YATES, K ;
THEODORAKOPOULOS, G ;
CSIZMADIA, IG .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (02) :247-254