A VARIATIONAL APPROACH TO RELATIVISTIC EFFECTS IN LCAO CALCULATIONS

被引：72

作者：

ALMLOF, J

FAEGRI, K

GRELLAND, HH

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 114卷 / 01期

关键词：

D O I：

10.1016/0009-2614(85)85054-5

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：53 / 57

页数：5

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共 21 条

[1] RELATIVISTIC INTEGRALS OVER BREIT-PAULI OPERATORS USING GENERAL CARTESIAN GAUSSIAN FUNCTIONS - COMMENT
ALMLOF, J
FAEGRI, K
GRELLAND, HH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (12) : 6329 - 6330
[2] EXACT TREATMENT OF DIRAC DELTA FUNCTION POTENTIAL IN SCHRODINGER EQUATION
ATKINSON, DA
CRATER, HW
[J]. AMERICAN JOURNAL OF PHYSICS, 1975, 43 (04) : 301 - 304
[3] MULTIPARTICLE BOUND-STATES IN QED
BUCHMULLER, W
DIETZ, K
[J]. ZEITSCHRIFT FUR PHYSIK C-PARTICLES AND FIELDS, 1980, 5 (01): : 45 - 54
[4] MATRIX REPRESENTATION OF THE RELATIVISTIC KINETIC-ENERGY OPERATOR - 2-COMPONENT VARIATIONAL PROCEDURE FOR THE TREATMENT OF MANY-ELECTRON ATOMS AND MOLECULES
BUENKER, RJ
CHANDRA, P
HESS, BA
[J]. CHEMICAL PHYSICS, 1984, 84 (01) : 1 - 9
[5] MATRIX REPRESENTATION OF OPERATOR PRODUCTS
DYALL, KG
GRANT, IP
WILSON, S
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (04) : 493 - 503
[6] DYALL KG, 1984, J PHYS B, V17, P145
[7] NI(CO)4 - A TEST OF THE HARTREE-FOCK APPROXIMATION FOR TRANSITION-METAL COMPOUNDS
FAEGRI, K
ALMLOF, J
[J]. CHEMICAL PHYSICS LETTERS, 1984, 107 (02) : 121 - 124
[8] ON THE DIRAC THEORY OF SPIN 1/2 PARTICLES AND ITS NON-RELATIVISTIC LIMIT
FOLDY, LL
WOUTHUYSEN, SA
[J]. PHYSICAL REVIEW, 1950, 78 (01): : 29 - 36
[9] RELATIVISTIC WAVE-EQUATIONS IN MOMENTUM SPACE
HARDEKOPF, G
SUCHER, J
[J]. PHYSICAL REVIEW A, 1984, 30 (02): : 703 - 711
[10] SPECTRAL THEORY OF OPERATOR (P2+M2)1/2 - ZE2-R
HERBST, IW
[J]. COMMUNICATIONS IN MATHEMATICAL PHYSICS, 1977, 53 (03) : 285 - 294