BASIS SET REQUIREMENT FOR SMALL COMPONENTS BESIDES KINETIC BALANCE IN RELATIVISTIC SELF-CONSISTENT-FIELD CALCULATIONS OF MANY-ELECTRON SYSTEMS

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LEE, YS
BAECK, KK
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[1]  
Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X
[2]   MULTICONFIGURATION RELATIVISTIC DIRAC-FOCK PROGRAM [J].
DESCLAUX, JP .
COMPUTER PHYSICS COMMUNICATIONS, 1975, 9 (01) :31-45
[3]   THE DIRAC-EQUATION IN THE ALGEBRAIC-APPROXIMATION .2. EXTENDED BASIS SET CALCULATIONS FOR HYDROGENIC ATOMS [J].
DYALL, KG ;
GRANT, IP ;
WILSON, S .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (07) :1201-1209
[4]   MATRIX REPRESENTATION OF OPERATOR PRODUCTS [J].
DYALL, KG ;
GRANT, IP ;
WILSON, S .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (04) :493-503
[5]   DIFFERENTIATION OF PSEUDO-INVERSES AND NONLINEAR LEAST-SQUARES PROBLEMS WHOSE VARIABLES SEPARATE [J].
GOLUB, GH ;
PEREYRA, V .
SIAM JOURNAL ON NUMERICAL ANALYSIS, 1973, 10 (02) :413-432
[6]  
Grant I. P., 1970, Advances in Physics, V19, P747, DOI 10.1080/00018737000101191
[7]   CONDITIONS FOR CONVERGENCE OF VARIATIONAL SOLUTIONS OF DIRACS EQUATION IN A FINITE BASIS [J].
GRANT, IP .
PHYSICAL REVIEW A, 1982, 25 (02) :1230-1232
[8]   DIRAC-FOCK DISCRETE-BASIS CALCULATIONS ON THE BERYLLIUM ATOM [J].
ISHIKAWA, Y ;
BINNING, RC ;
SANDO, KM .
CHEMICAL PHYSICS LETTERS, 1983, 101 (01) :111-114
[9]  
ISHIKAWA Y, COMMUNICATION
[10]   RELATIVISTIC SELF-CONSISTENT-FIELD THEORY FOR CLOSED-SHELL ATOMS [J].
KIM, YK .
PHYSICAL REVIEW, 1967, 154 (01) :17-&