GROUND-STATE PROPERTIES OF ALKALI AND ALKALINE-EARTH HYDRIDES

被引:76
作者
FUENTEALBA, P [1 ]
REYES, O [1 ]
STOLL, H [1 ]
PREUSS, H [1 ]
机构
[1] UNIV STUTTGART,INST THEORET CHEM,D-7000 STUTTGART 80,FED REP GER
关键词
D O I
10.1063/1.453653
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:5338 / 5345
页数:8
相关论文
共 38 条
[1]   THE DISSOCIATION-ENERGY OF MGO [J].
BAUSCHLICHER, CW ;
LENGSFIELD, BH ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4084-4087
[2]   PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS [J].
BOTSCHWINA, P ;
MEYER, W .
CHEMICAL PHYSICS, 1977, 20 (01) :43-52
[3]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[4]   GROUND-STATE DIPOLE-MOMENT OF NAH [J].
DAGDIGIAN, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (05) :2328-2329
[5]   FINITE-DIFFERENCE DIRAC-FOCK CALCULATIONS OF ELECTRIC-DIPOLE POLARIZABILITIES FOR (NS)1 AND (NS)2 ATOMS [J].
DESCLAUX, JP ;
LAAKSONEN, L ;
PYYKKO, P .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (03) :419-425
[6]  
FRAGA S, 1976, HDB ATOMIC DATA
[7]   A PROPER ACCOUNT OF CORE-POLARIZATION WITH PSEUDOPOTENTIALS - SINGLE VALENCE-ELECTRON ALKALI COMPOUNDS [J].
FUENTEALBA, P ;
PREUSS, H ;
STOLL, H ;
VONSZENTPALY, L .
CHEMICAL PHYSICS LETTERS, 1982, 89 (05) :418-422
[8]   PSEUDOPOTENTIAL CALCULATIONS FOR ALKALINE-EARTH ATOMS [J].
FUENTEALBA, P ;
VONSZENTPALY, L ;
PREUSS, H ;
STOLL, H .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1985, 18 (07) :1287-1296
[9]   ON THE RELIABILITY OF SEMI-EMPIRICAL PSEUDOPOTENTIALS - SIMULATION OF HARTREE-FOCK AND DIRAC-FOCK RESULTS [J].
FUENTEALBA, P ;
STOLL, H ;
VONSZENTPALY, L ;
SCHWERDTFEGER, P ;
PREUSS, H .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (11) :L323-L328
[10]  
FUENTEALBA P, 1984, THESIS STUTTGART