ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE RARE-EARTH ELEMENTS

被引:1052
作者
DOLG, M
STOLL, H
PREUSS, H
机构
关键词
D O I
10.1063/1.456066
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:1730 / 1734
页数:5
相关论文
共 34 条
[1]   PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].
BACHELET, GB ;
HAMANN, DR ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228
[2]  
Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299
[3]   THEORY OF SPIN-ORBIT COUPLING IN ATOMS .1. DERIVATION OF SPIN-ORBIT COUPLING CONSTANT [J].
BLUME, M ;
WATSON, RE .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1962, 270 (1340) :127-&
[4]   RELATIVISTIC EFFECTS IN CHEMICAL-SYSTEMS [J].
CHRISTIANSEN, PA ;
ERMLER, WC ;
PITZER, KS .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1985, 36 :407-432
[5]   APPROXIMATE RELATIVISTIC CORRECTIONS TO ATOMIC RADIAL WAVE-FUNCTIONS [J].
COWAN, RD ;
GRIFFIN, DC .
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA, 1976, 66 (10) :1010-1014
[6]  
DIXON RN, 1978, SPECIALIST PERIODICA, V3, P100
[7]   ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 1ST-ROW TRANSITION-ELEMENTS [J].
DOLG, M ;
WEDIG, U ;
STOLL, H ;
PREUSS, H .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) :866-872
[8]   ABINITIO PSEUDOPOTENTIAL STUDY OF THE 1ST ROW TRANSITION-METAL MONOXIDES AND IRON MONOHYDRIDE [J].
DOLG, M ;
WEDIG, U ;
STOLL, H ;
PREUSS, H .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2123-2131
[9]  
DOLG M, IN PRESS 1988 P WORK
[10]  
DOLG M, IN PRESS THEOR CHIM