SOLUTION OF THE HARTREE-FOCK-SLATER EQUATIONS FOR DIATOMIC-MOLECULES BY THE FINITE-ELEMENT METHOD

被引：81

作者：

HEINEMANN, D

FRICKE, B

KOLB, D

机构：

来源：

PHYSICAL REVIEW A | 1988年 / 38卷 / 10期

关键词：

D O I：

10.1103/PhysRevA.38.4994

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：4994 / 5001

页数：8

共 26 条

[1] FINITE-ELEMENT METHODS FOR REACTIVE SCATTERING [J].

ASKAR, A ;

CAKMAK, AS ;

RABITZ, HA .

CHEMICAL PHYSICS, 1978, 33 (02) :267-286

[2]

Atkinson K. E., 1988, INTRO NUMERICAL ANAL, V2nd

[3] NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6037-6045

[4] COMPARISON BETWEEN FINITE-ELEMENT METHODS AND SPECTRAL METHODS AS APPLIED TO BOUND-STATE PROBLEMS [J].

DUFF, M ;

RABITZ, H ;

ASKAR, A ;

CAKMAK, A ;

ABLOWITZ, M .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (03) :1543-1559

[5] 2-CENTER THOMAS-FERMI MODEL FOR ADIABATIC ION-ATOM COLLISIONS [J].

EICHLER, J ;

WILLE, U .

PHYSICAL REVIEW LETTERS, 1974, 33 (02) :56-59

[6] CHANNEL-COUPLING THEORY OF MOLECULAR-STRUCTURE - FINITE-ELEMENT METHOD SOLUTION FOR H-2(+) [J].

FORD, WK ;

LEVIN, FS .

PHYSICAL REVIEW A, 1984, 29 (01) :43-51

[7]

FROESEFISCHER C, 1977, HARTREEFOCK METHOD A

[8] *UBER EINE APPROXIMATION DES HARTREEFOGKSCHEN POTENTIALS DURCH EINE UNIVERSELLE POTENTIALFUNKTION [J].

GASPAR, R .

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1954, 3 (3-4) :263-286

[9] HYMNIA - BAND MATRIX PACKAGE FOR SOLVING EIGENVALUE PROBLEMS [J].

GRUBER, R .

COMPUTER PHYSICS COMMUNICATIONS, 1975, 10 (01) :30-41

[10] INVESTIGATIONS WITH THE FINITE-ELEMENT METHOD ON THE CYBER 205 .1. THE COLLINEAR X+YZ(X,Y,Z=H,D,MU) REACTION [J].

JAQUET, R .

THEORETICA CHIMICA ACTA, 1987, 71 (06) :425-448

← 1 2 3 →