FINITE-DIFFERENCE NEWTON-RAPHSON SOLUTION OF 2-CENTER ELECTRONIC SCHRODINGER EQUATION

被引:10
作者
CAYFORD, JK [1 ]
FIMPLE, WR [1 ]
UNGER, DG [1 ]
WHITE, SP [1 ]
机构
[1] UNIV CANTERBURY,DEPT PHYS,CHRISTCHURCH,NEW ZEALAND
关键词
D O I
10.1016/0021-9991(74)90094-1
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
引用
收藏
页码:259 / 270
页数:12
相关论文
共 11 条
[1]   WAVE FUNCTIONS OF THE HYDROGEN MOLECULAR ION [J].
BATES, DR ;
LEDSHAM, K ;
STEWART, AL .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 246 (911) :215-240
[2]  
BURRAU O, 1927, KGL DANSKE VIDENSKAB, V7, P1
[3]   FINITE-DIFFERENCE NEWTON-RAPHSON SOLUTION OF ATOMIC HARTREE-FOCK PROBLEM [J].
CAYFORD, JK ;
FIMPLE, WR ;
UNGER, DG .
JOURNAL OF COMPUTATIONAL PHYSICS, 1974, 15 (01) :81-97
[4]   On the Theory of Hydrogen molecular ion [J].
Jaffe, George .
ZEITSCHRIFT FUR PHYSIK, 1934, 87 (7-8) :535-544
[5]  
KOPAL Z, 1961, NUMERICAL ANALYSI VC
[6]   MOLECULAR-ORBITAL STUDIES ON SMALL MOLECULES USING H+/2-TYPE ELLIPTICAL BASIS ORBITALS - APPLICATION TO H+/2, H2, HE+/2+ AND H+-3 [J].
LLAGUNO, CT ;
GUPTA, SK ;
ROTHSTEIN, SM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (04) :819-834
[7]  
Neville E.H., 1934, J INDIAN MATH SOC, V20, P87
[8]   EIGENPARAMETERS FOR 1SSIGMAG AND 2PSIGMAU ORBITALS OF H2+ [J].
PEEK, JM .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3004-&
[10]   APPROXIMATION OF MOLECULAR ORBITALS IN DIATOMIC MOLECULES BY DIATOMIC ORBITALS [J].
WALLIS, RF ;
HULBURT, HM .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (05) :774-781