LONG-RANGE BEHAVIOR OF THE CORRELATION POTENTIALS FOR ATOMIC SYSTEMS

被引:6
作者
CHEN, JQ [1 ]
STOTT, MJ [1 ]
机构
[1] QUEENS UNIV, DEPT PHYS, KINGSTON K7L 3N6, ONTARIO, CANADA
关键词
D O I
10.1016/0375-9601(93)90323-R
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The long range behaviour of the correlation potentials V(c)(r) for atomic systems is discussed. We conjecture that V(c)(r)\r-->infinity=0 from below (above) if the ionization energy is greater (smaller) than the negative of the highest occupied Hartree-Fock orbital energy.
引用
收藏
页码:101 / 104
页数:4
相关论文
共 23 条
[1]  
Aashamar K., 1978, Atomic Data and Nuclear Data Tables, V22, P443, DOI 10.1016/0092-640X(78)90019-0
[2]   DENSITY-FUNCTIONAL EXCHANGE-CORRELATION POTENTIALS AND ORBITAL EIGENVALUES FOR LIGHT-ATOMS [J].
ALMBLADH, CO ;
PEDROZA, AC .
PHYSICAL REVIEW A, 1984, 29 (05) :2322-2330
[3]   DENSITY-FUNCTIONAL THEORY FOR 2 NONINTERACTING SPINLESS FERMIONS [J].
ARYASETIAWAN, F ;
STOTT, MJ .
PHYSICAL REVIEW B, 1986, 34 (06) :4401-4404
[4]   EFFECTIVE POTENTIALS IN DENSITY-FUNCTIONAL THEORY [J].
ARYASETIAWAN, F ;
STOTT, MJ .
PHYSICAL REVIEW B, 1988, 38 (05) :2974-2987
[5]   DENSITY FUNCTIONAL CALCULATIONS OF MOLECULAR-BOND ENERGIES [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) :4524-4529
[6]  
Chen J. P., IN PRESS
[7]  
CHEN JQ, IN PRESS PHILOS MA B
[8]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[9]  
Dahl J. P., 1984, LOCAL DENSITY APPROX
[10]   THE CORRELATION POTENTIAL FOR 2-ELECTRON ATOMIC IONS [J].
DAVIDSON, ER .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1990, 37 (06) :811-819