NEW REPRESENTATION OF THE -]ALPHA.-]P OPERATOR IN THE SOLUTION OF DIRAC-TYPE EQUATIONS BY THE LINEAR-EXPANSION METHOD

被引:73
作者
MARK, F [1 ]
SCHWARZ, WHE [1 ]
机构
[1] UNIV SIEGEN,D-5900 SIEGEN,FED REP GER
关键词
D O I
10.1103/PhysRevLett.48.673
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:673 / 678
页数:6
相关论文
共 16 条
[1]  
AHLRICHS R, COMMUNICATION
[2]   RELATIVISTIC SELF-CONSISTENT-FIELD METHODS FOR MOLECULES .2. A SINGLE-DETERMINANT DIRAC-FOCK SELF-CONSISTENT-FIELD METHOD FOR CLOSED-SHELL POLYATOMIC-MOLECULES [J].
AOYAMA, T ;
YAMAKAWA, H ;
MATSUOKA, O .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (03) :1329-1333
[3]   VARIATIONAL STABILITY IN DIRAC-HARTREE-FOCK THEORY [J].
DATTA, SN .
CHEMICAL PHYSICS LETTERS, 1980, 74 (03) :568-572
[4]   MULTICONFIGURATION RELATIVISTIC DIRAC-FOCK PROGRAM [J].
DESCLAUX, JP .
COMPUTER PHYSICS COMMUNICATIONS, 1975, 9 (01) :31-45
[5]   EFFECTIVE HAMILTONIAN IN THE DIRAC-FOCK-ROOTHAAN SCF THEORY [J].
ISHIKAWA, Y ;
MALLI, GL .
CHEMICAL PHYSICS LETTERS, 1981, 80 (01) :111-113
[6]   RELATIVISTIC HARTREE-FOCK-ROOTHAAN THEORY FOR OPEN-SHELL ATOMS [J].
KAGAWA, T .
PHYSICAL REVIEW A, 1975, 12 (06) :2245-2256
[7]   RELATIVISTIC SELF-CONSISTENT-FIELD THEORY FOR CLOSED-SHELL ATOMS [J].
KIM, YK .
PHYSICAL REVIEW, 1967, 154 (01) :17-&
[8]   RELATIVISTIC THEORY OF H2+ [J].
LUKE, SK ;
HUNTER, G ;
MCEACHRAN, RP .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1644-+
[9]   ABINITIO RELATIVISTIC SELF-CONSISTENT-FIELD (RSCF) WAVEFUNCTIONS FOR THE DIATOMICS LI2 AND BE2 [J].
MALLI, G ;
OREG, J .
CHEMICAL PHYSICS LETTERS, 1980, 69 (02) :313-314
[10]   ANALYTICAL RELATIVISTIC HARTREE-FOCK EQUATIONS WITHIN SCALAR BASIS-SETS [J].
MARK, F ;
ROSICKY, F .
CHEMICAL PHYSICS LETTERS, 1980, 74 (03) :562-567