COMBINATION OF PSEUDOPOTENTIALS AND DENSITY FUNCTIONALS

被引：64
作者：
PREUSS, H
STOLL, H
WEDIG, U
KRUGER, T
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1981年 / 19卷 / 01期
关键词：
D O I：
10.1002/qua.560190111
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：113 / 130
页数：18
相关论文
共 48 条
[1]   MODEL POTENTIAL FOR POSITIVE IONS [J].
ABARENKOV, IV ;
HEINE, V .
PHILOSOPHICAL MAGAZINE, 1965, 12 (117) :529-+
[2]  
ABARENKOV IV, 1964, PHILOSOPHICAL MAG, V9, P451
[3]  
Barthelat J.C., 1975, THEOR CHIM ACTA, V38, P283
[4]   NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS [J].
BARTHELAT, JC ;
DURAND, P ;
SERAFINI, A .
MOLECULAR PHYSICS, 1977, 33 (01) :159-180
[5]  
BARTHELAT JC, 1974, CHEMICAL PHYS LETT, V27, P191
[6]  
BASHKIN S, 1978, ATOMIC ENERGY LEVELS, V2
[7]  
BASHKIN S, 1975, ATOMIC ENERGY LEVELS, V1
[8]   ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD [J].
CHANG, TC ;
HABITZ, P ;
PITTEL, B ;
SCHWARZ, WHE .
THEORETICA CHIMICA ACTA, 1974, 34 (04) :263-275
[9]   ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD .2. 1ST-ROW MOLECULES [J].
CHANG, TC ;
HABITZ, P ;
SCHWARZ, WHE .
THEORETICA CHIMICA ACTA, 1977, 44 (01) :61-76
[10]   PSEUDOPOTENTIAL SCF METHOD FOR VALENCE-ONLY MOLECULAR CALCULATIONS [J].
COFFEY, P ;
EWIG, CS ;
VANWAZER, JR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (07) :1656-1662
12345