RELATIVISTIC PSEUDOPOTENTIAL THEORIES AND CORRECTIONS TO THE HARTREE-FOCK METHOD

被引:35
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PYPER, NC
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D O I
10.1080/00268978000101111
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O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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页码:1327 / 1358
页数:32
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共 46 条
[1]   QUASI-RELATIVISTIC APPROXIMATION IN SCF-MO-LCAO METHOD [J].
BERSUKER, IB ;
BUDNIKOV, SS ;
LEIZEROV, BA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (05) :849-&
[2]   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-&
[3]   THEORY OF SPIN-ORBIT COUPLING IN ATOMS .2. COMPARISON OF THEORY WITH EXPERIMENT [J].
BLUME, M ;
WATSON, RE .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1963, 271 (1344) :565-+
[4]   CANCELLATION OF KINETIC AND POTENTIAL ENERGY IN ATOMS, MOLECULES, AND SOLIDS [J].
COHEN, MH ;
HEINE, V .
PHYSICAL REVIEW, 1961, 122 (06) :1821-&
[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]   MODIFIED PSEUDOPOTENTIAL APPROACH TO HEAVY-ATOMIC MOLECULAR SYSTEMS - APPLICATION TO X2-SIGMA+1-2,A2-PI1-2, AND A2-PI3-2 STATES OF HGH MOLECULE [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) :4672-4679
[7]   APPLICATION OF EFFECTIVE POTENTIALS TO RELATIVISTIC HARTREE-FOCK CALCULATIONS [J].
DATTA, SN ;
EWIG, CS ;
VANWAZER, JR .
CHEMICAL PHYSICS LETTERS, 1978, 57 (01) :83-89
[8]  
DESCLAUX JP, 1972, INT J QUANTUM CHEM, V6, P25
[9]  
Dirac P. A. M., 1958, PRINCIPLES QUANTUM M
[10]   GENERAL PSEUDOPOTENTIAL MODEL FOR MOLECULES WITH MANY VALENCE-ELECTRONS [J].
DIXON, RN ;
HUGO, JMV .
MOLECULAR PHYSICS, 1975, 29 (03) :953-970