SOLVING THE DIRAC-EQUATION IN MOMENTUM SPACE - A NUMERICAL STUDY OF H-2+

被引:5
作者
ISHIKAWA, Y
RODRIGUEZ, W
TORRES, S
ALEXANDER, SA
机构
[1] UNIV PUERTO RICO,CHEM PHYS PROGRAM,RIO PIEDRAS,PR 00931
[2] UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
关键词
D O I
10.1016/0009-2614(88)87382-2
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:289 / 292
页数:4
相关论文
共 23 条
[1]  
AERTS PJC, 1986, INT J QUANTUM CHEM, V19, P267
[2]   POLYATOMIC SCF CALCULATIONS WITH NUMERICAL ORBITALS .1. INTRODUCTION AND COMPUTATIONAL EXPERIMENTS ON THE CYBER-205 [J].
ALEXANDER, SA ;
MONKHORST, HJ .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, 32 (03) :361-375
[3]   NUMERICAL-SOLUTION OF HARTREE-FOCK EQUATIONS FOR A POLYATOMIC MOLECULE - LINEAR H-3 IN MOMENTUM SPACE [J].
DEFRANCESCHI, M ;
SUARD, M ;
BERTHIER, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 25 (05) :863-867
[4]   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
[5]   FINITE BASIS-SET APPROACH TO THE DIRAC-HARTREE-FOCK EQUATIONS [J].
GOLDMAN, SP ;
DALGARNO, A .
PHYSICAL REVIEW LETTERS, 1986, 57 (04) :408-411
[6]  
GOLDMAN SP, 1987, IN PRESS PHYS REV A
[7]   VARIATIONAL SOLUTIONS OF THE DIRAC-EQUATION FOR ATOMS AND MOLECULES [J].
HEGARTY, D ;
AERTS, PJC .
PHYSICA SCRIPTA, 1987, 36 (03) :432-435
[8]   GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I. [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) :1293-&
[9]   DIRAC-FOCK DISCRETE-BASIS CALCULATIONS ON THE BERYLLIUM ATOM [J].
ISHIKAWA, Y ;
BINNING, RC ;
SANDO, KM .
CHEMICAL PHYSICS LETTERS, 1983, 101 (01) :111-114
[10]   EXPANSION CALCULATIONS WITH THE DIRAC HAMILTONIAN - 1S1/2 AND 2P1/2 STATES OF HYDROGENIC SYSTEMS [J].
ISHIKAWA, Y ;
BARETTY, R ;
SANDO, KM .
CHEMICAL PHYSICS LETTERS, 1985, 117 (05) :444-450