Effect of the one-body potential on interelectronic correlation in two-electron systems

被引:18
作者
Katriel, J [1 ]
Roy, S [1 ]
Springborg, M [1 ]
机构
[1] Univ Saarland, D-66123 Saarbrucken, Germany
关键词
D O I
10.1063/1.2033747
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
The correlation energies of the helium isoelectronic sequence (IS) and of Hooke's IS are very similar and are both weakly increasing upon increasing the nuclear charge/force constant, respectively. However, their separation into radial and angular correlations shows interesting differences. First, for intermediate (and high) values of the force constant radial correlation in Hooke's IS is surprisingly low. Second, both systems exhibit a decrease in the relative contribution of radial versus angular correlation upon strengthening the one-body attractive potential; however, unlike the helium IS, in Hooke's IS the radial correlation energy increases in absolute value upon strengthening the attractive one-body potential. The contribution of radial correlation to the Coulomb hole is examined and the asymptotic behavior at both strong and weak attractive potentials is considered. Radial correlation in Hooke's IS is found to constitute about 9.3% of the total correlation energy when the spring constant approaches the limit k ->infinity, but 100% of the total correlation energy for k -> 0. Our results highlight both the similarities and the differences between the helium and Hooke's ISs. (c) 2005 American Institute of Physics.
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页数:6
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共 28 条
[1]   ASYMPTOTIC FORMS OF 2-ELECTRON WAVE-FUNCTIONS WITH A MONOPOLE INTERACTION [J].
ALTICK, PL .
PHYSICAL REVIEW A, 1980, 21 (05) :1381-1386
[2]   Exact density matrix for a two-electron model atom and approximate proposals for realistic two-electron systems [J].
Amovilli, C ;
March, NH .
PHYSICAL REVIEW A, 2003, 67 (02) :6
[3]   ELECTRON CORRELATION IN GROUND STATE OF HELIUM [J].
COULSON, CA ;
NEILSON, AH .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1961, 78 (504) :831-&
[4]   Electron correlation in Hooke's law atom in the high-density limit [J].
Gill, PMW ;
O'Neill, DP .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (09)
[5]   The spectrums of atomic systems with two electrons [J].
Heisenberg, W .
ZEITSCHRIFT FUR PHYSIK, 1926, 39 (7/8) :499-518
[6]   Local correlation energies of two-electron atoms and model systems [J].
Huang, CJ ;
Umrigar, CJ .
PHYSICAL REVIEW A, 1997, 56 (01) :290-296
[7]   REMINISCENCES FROM EARLY QUANTUM MECHANICS OF 2-ELECTRON ATOMS [J].
HYLLERAAS, EA .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :421-&
[8]   The ground state of the two-electron problem of H(-), He, Li(+) ,Be (++) ao [J].
Hylleraas, Egil A. .
ZEITSCHRIFT FUR PHYSIK, 1930, 65 (3-4) :209-225
[9]   DENSITY FUNCTIONALS AND DIMENSIONAL RENORMALIZATION FOR AN EXACTLY SOLVABLE MODEL [J].
KAIS, S ;
HERSCHBACH, DR ;
HANDY, NC ;
MURRAY, CW ;
LAMING, GJ .
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (01) :417-425
[10]   DIMENSIONAL SCALING AS A SYMMETRY OPERATION [J].
KAIS, S ;
HERSCHBACH, DR ;
LEVINE, RD .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (12) :7791-7796