The interelectronic angle density is the probability density function that the angle subtended by the vectors and of any two electrons i and j becomes For equivalent electrons in atoms, it is shown that the density in the Hartree–Fock theory is given by a simple polynomial of Detailed expressions are reported for all LS terms arising from and electron configurations. With no modifications, the present results apply as well to the interelectronic angle density in momentum space, where is the angle between two electron momenta.
REFERENCES
1.
A. J. Thakkar, in Density Matrices and Density Functionals, edited by R. M. Erdahl and V. H. Smith, Jr. (Reidel, Dordrecht, 1987), pp. 553–581.
2.
3.
4.
5.
P.
Rehmus
, M. E.
Kellman
, and R. S.
Berry
, Chem. Phys.
31
, 239
(1978
).6.
7.
D. R. T.
Keeble
, K. E.
Banyard
, and G. W. F.
Drake
, J. Phys. B
26
, 2811
(1993
).8.
Y.
Komninos
and C. A.
Nicolaides
, Phys. Rev. A
50
, 3782
(1994
).9.
Y.
Komninos
and C. A.
Nicolaides
, Int. J. Quantum Chem.
71
, 25
(1999
);Y.
Komninos
and C. A.
Nicolaides
, Int. J. Quantum Chem.
74
, 435
(1999
).10.
11.
12.
13.
14.
15.
E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, London, 1970).
16.
E. U. Condon and H. Odabasi, Atomic Structure (Cambridge University Press, Cambridge, 1980).
17.
J. C. Slater, Quantum Theory of Atomic Structure (McGraw-Hill, New York, 1960), Vols. 1 and 2.
18.
19.
M. Weissbluth, Atoms and Molecules (Academic, New York, 1978).
20.
I. N. Levine, Quantum Chemistry. 5th ed. (Prentice Hall, Upper Saddle River, NJ, 2000), p. 328.
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