INCLUSION OF CORE-VALENCE CORRELATION-EFFECTS IN PSEUDOPOTENTIAL CALCULATIONS .1. ALKALI ATOMS AND DIATOMS

被引：125
作者：
JEUNG, GH
MALRIEU, JP
DAUDEY, JP
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 07期
关键词：
D O I：
10.1063/1.444258
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：3571 / 3577
页数：7
相关论文
共 38 条
[1]  
Bardsley J. N., 1974, Case Studies in Atomic Physics, V4, P299
[2]   PSEUDOPOTENTIAL CALCULATIONS FOR NA+2, NA AND NA-2 [J].
BARDSLEY, JN ;
JUNKER, BR ;
NORCROSS, DW .
CHEMICAL PHYSICS LETTERS, 1976, 37 (03) :502-506
[3]  
Barthelat J, 1978, GAZZ CHIM ITAL, V108, P225
[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]   ANALYTICAL RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS FOR ATOMS [J].
BARTHELAT, JC ;
PELISSIER, M ;
DURAND, P .
PHYSICAL REVIEW A, 1980, 21 (06) :1773-1785
[6]   THE ELECTRONIC-STRUCTURE OF SMALL NICKEL ATOM CLUSTERS [J].
BASCH, H ;
NEWTON, MD ;
MOSKOWITZ, JW .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09) :4492-4510
[7]   THE QUANTAL CALCULATION OF THE PHOTO-IONIZATION CROSS-SECTION OF ATOMIC POTASSIUM [J].
BATES, DR .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 188 (1014) :350-357
[8]   CONSTRUCTIVE MODEL POTENTIAL METHOD FOR ATOMIC INTERACTIONS [J].
BOTTCHER, C ;
DALGARNO, A .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1974, 340 (1621) :187-198
[9]   POTENTIAL CURVES AND MOLECULAR-PROPERTIES OF NA-2(+) [J].
CERJAN, CJ ;
DOCKEN, KK ;
DALGARNO, A .
CHEMICAL PHYSICS LETTERS, 1976, 38 (03) :401-404
[10]   SIMPLIFIED HARTREE-FOCK PROCEDURE FOR ATOMS WITH 2 ELECTRONS OUTSIDE CLOSED SHELLS [J].
CHISHOLM, CD ;
OPIK, U .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1964, 83 (5344) :541-&
1234