学术探索
学术期刊
新闻热点
数据分析
智能评审

RELATIVISTIC EFFECTS IN CHEMICAL-SYSTEMS

被引：155
作者：
CHRISTIANSEN, PA
ERMLER, WC
PITZER, KS
机构：
[1] STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[3] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
来源：
ANNUAL REVIEW OF PHYSICAL CHEMISTRY | 1985年 / 36卷
关键词：
D O I：
10.1146/annurev.physchem.36.1.407
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：407 / 432
页数：26
相关论文
共 124 条
[71]   RELATIVISTIC EFFECTS ON RE AND DE IN AGH AND AUH FROM ALL-ELECTRON DIRAC HARTREE-FOCK CALCULATIONS [J].
LEE, YS ;
MCLEAN, AD .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (01) :735-736
[72]   ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .3. GROUND-STATE AU2 CALCULATIONS [J].
LEE, YS ;
ERMLER, WC ;
PITZER, KS ;
MCLEAN, AD .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (01) :288-292
[73]   ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .5. SCF CALCULATIONS WITH OMEGA-OMEGA COUPLING INCLUDING RESULTS FOR AU2+, TIH, PBS, AND PBSE [J].
LEE, YS ;
ERMLER, WC ;
PITZER, KS .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) :360-366
[74]   ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .1. FORMALISM AND APPLICATIONS TO XE AND AU ATOMS [J].
LEE, YS ;
ERMLER, WC ;
PITZER, KS .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (12) :5861-5876
[75]   RELATIVISTICALLY PARAMETERIZED EXTENDED HUCKEL THEORY [J].
LOHR, LL ;
PYYKKO, P .
CHEMICAL PHYSICS LETTERS, 1979, 62 (02) :333-338
[76]   RELATIVISTIC SELF-CONSISTENT-FIELD (RSCF) THEORY FOR CLOSED-SHELL MOLECULES [J].
MALLI, G ;
OREG, J .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (02) :830-841
[77]  
MALLI GL, 1983, RELATIVISTIC EFFECTS
[78]   ALL-ELECTRON RELATIVISTIC CALCULATIONS ON AGH - AN INVESTIGATION OF THE COWAN-GRIFFIN OPERATOR IN A MOLECULAR-SPECIES [J].
MARTIN, RL .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (05) :750-754
[79]  
MCLEAN AD, 1982, STUDIES PHYS THEOR C, V21, P219
[80]  
MCMURCHIE LE, 1981, J COMP PHYS, V63, P293
3456789101112