PSEUDO-EIGENVALUE EQUATION FOR NATURAL ORBITALS OF 2-ELECTRON SYSTEMS AND LONG-RANGE BEHAVIOR

被引:15
作者
SILVERSTONE, HJ [1 ]
CARROLL, DP [1 ]
METZGER, RM [1 ]
机构
[1] UNIV MISSISSIPPI,DEPT CHEM,UNIVERSITY,MS 38677
关键词
D O I
10.1063/1.437393
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:5919 / 5921
页数:3
相关论文
共 18 条
[1]   ASYMPTOTIC-BEHAVIOR OF ATOMIC BOUND-STATE WAVE-FUNCTIONS [J].
AHLRICHS, R .
JOURNAL OF MATHEMATICAL PHYSICS, 1973, 14 (12) :1860-1863
[2]  
AHLRICHS R, 1972, CHEM PHYS LETT, V15, P609, DOI 10.1016/0009-2614(72)80386-5
[3]   LONG-RANGE BEHAVIOR OF NATURAL ORBITALS AND ELECTRON-DENSITY [J].
AHLRICHS, R .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2706-2707
[4]   ON SOLUTION OF QUANTUM MECHANICAL 2-ELECTRON PROBLEM BY DIRECT CALCULATION OF NATURAL ORBITALS .3. REFINED TREATMENT OF HELIUM-ATOM AND HELIUM-LIKE IONS [J].
AHLRICHS, R ;
KUTZELNI.W ;
BINGEL, WA .
THEORETICA CHIMICA ACTA, 1966, 5 (04) :289-&
[5]  
AHLRICHS R, 1973, CHEM PHYS LETT, V18, P512
[6]  
CARROLL DP, J CHEM PHYS
[7]   NATURAL EXPANSIONS OF EXACT WAVE FUNCTIONS .1. METHOD [J].
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (03) :577-&
[8]   NATURAL EXPANSIONS OF EXACT WAVEFUNCTIONS .3. HELIUM-ATOM GROUND STATE [J].
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (04) :875-&
[9]  
DAVIDSON ER, 1976, REDUCED DENSITY MATR, P72
[10]   LONG-RANGE BEHAVIOR OF HARTREE-FOCK ORBITALS [J].
HANDY, NC ;
MARRON, MT ;
SILVERSTONE, HJ .
PHYSICAL REVIEW, 1969, 180 (01) :45-+