PSEUDOPOTENTIAL CALCULATIONS FOR ALKALINE-EARTH ATOMS

被引:249
作者
FUENTEALBA, P
VONSZENTPALY, L
PREUSS, H
STOLL, H
机构
关键词
D O I
10.1088/0022-3700/18/7/010
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
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页码:1287 / 1296
页数:10
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共 61 条
[1]   PSEUDOPOTENTIAL CALCULATIONS FOR NA+2, NA AND NA-2 [J].
BARDSLEY, JN ;
JUNKER, BR ;
NORCROSS, DW .
CHEMICAL PHYSICS LETTERS, 1976, 37 (03) :502-506
[2]   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
[3]  
Bashkin S., 1975, ATOMIC ENERGY LEVELS
[4]   ELECTRONIC WAVE FUNCTIONS FOR ATOMS .I. GROUND STATE OF BE [J].
BUNGE, CF .
PHYSICAL REVIEW, 1968, 168 (01) :92-&
[5]   ACCURACY AND LIMITATIONS OF PSEUDOPOTENTIAL METHOD [J].
CHANG, TC ;
HABITZ, P ;
PITTEL, B ;
SCHWARZ, WHE .
THEORETICA CHIMICA ACTA, 1974, 34 (04) :263-275
[6]   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
[7]   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-&
[8]   IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS [J].
CHRISTIANSEN, PA ;
LEE, YS ;
PITZER, KS .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) :4445-4450
[9]   RELIABLE STATIC ELECTRIC-DIPOLE POLARIZABILITIES FOR HEAVY-ELEMENTS [J].
CHRISTIANSEN, PA ;
PITZER, KS .
CHEMICAL PHYSICS LETTERS, 1982, 85 (04) :434-436
[10]   ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS [J].
COHEN, HD ;
ROOTHAAN, CC .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S034-+