SOLUTION OF THE HARTREE-FOCK EQUATIONS BY A PSEUDOSPECTRAL METHOD - APPLICATION TO DIATOMIC-MOLECULES

被引：201

作者：

FRIESNER, RA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 03期

关键词：

D O I：

10.1063/1.451237

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

页码：1462 / 1468

页数：7

共 24 条

[1] SMALL-SCALE STRUCTURE OF THE TAYLOR-GREEN VORTEX [J].

BRACHET, ME ;

MEIRON, DI ;

ORSZAG, SA ;

NICKEL, BG ;

MORF, RH ;

FRISCH, U .

JOURNAL OF FLUID MECHANICS, 1983, 130 (MAY) :411-452

[2]

BRACHET ME, UNPUB

[3]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[4]

DAHLQUIST G., 1974, NUMERICAL METHODS

[5] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&

[6]

FRIESNER R, UNPUB

[7] SOLUTION OF SELF-CONSISTENT FIELD ELECTRONIC-STRUCTURE EQUATIONS BY A PSEUDOSPECTRAL METHOD [J].

FRIESNER, RA .

CHEMICAL PHYSICS LETTERS, 1985, 116 (01) :39-43

[8] EFFECTS OF ISOLATED IMPURITIES ON ATOM SCATTERING FROM CRYSTALLINE SURFACES - EXACT QUANTUM-MECHANICAL CALCULATIONS [J].

GERBER, RB ;

YINNON, AT ;

KOSLOFF, R .

CHEMICAL PHYSICS LETTERS, 1984, 105 (05) :523-526

[9]

Gottlieb D., 1977, NUMERICAL ANAL SPECT

[10] A FOURIER METHOD SOLUTION FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION AS A TOOL IN MOLECULAR-DYNAMICS [J].

KOSLOFF, D ;

KOSLOFF, R .

JOURNAL OF COMPUTATIONAL PHYSICS, 1983, 52 (01) :35-53

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