Two methods are presented for the calculation of interelectronic moments in position space and in momentum space of atomic systems within the Hartree–Fock framework, where and are, respectively, the position and momentum distances of any pair of electrons. The methods are applied to the neutral atoms from He to Xe in their ground state, and the moments with to and with to are reported based on the numerical Hartree–Fock calculations. Some trends of these interelectronic moments are also discussed as a function of atomic number.
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.
A. J.
Thakkar
, A. N.
Tripathi
, and V. H.
Smith
, Jr., Int. J. Quantum Chem.
26
, 157
(1984
).5.
R. J.
Boyd
, C.
Sarasola
, and J. M.
Ugalde
, J. Phys. B
21
, 2555
(1988
).6.
7.
8.
C. A.
Coulson
and A. H.
Neilson
, Proc. Phys. Soc. London
78
, 831
(1961
).9.
10.
A. J.
Thakkar
and V. H.
Smith
, Jr., Chem. Phys. Lett.
42
, 476
(1976
).11.
12.
A. J.
Thakkar
, A. N.
Tripathi
, and V. H.
Smith
, Jr., Phys. Rev. A
29
, 1108
(1984
).13.
14.
15.
R. Colle and O. Salvetti, in Density Matrices and Density Functionals, edited by R. M. Erdahl and V. H. Smith, Jr. (Reidel, Dordrecht, 1987), pp. 545–552.
16.
17.
J. M.
Ugalde
, C.
Sarasola
, L.
Dominguez
, and R. J.
Boyd
, J. Math. Chem.
6
, 51
(1991
).18.
M.
Aguado
, C.
Sarasola
, L.
Dominguez
, and J. M.
Ugalde
, J. Mol. Struct. (THEOCHEM)
253
, 311
(1992
).19.
20.
C. E.
Reed
and K. E.
Banyard
, J. Phys. B
13
, 1519
(1980
)., J. Phys. B
21.
K. E.
Banyard
and P. K.
Youngman
, J. Phys. B
20
, 5585
(1987
)., J. Phys. B
22.
23.
K. E.
Banyard
, K. H.
Al-Bayati
, and P. K.
Youngman
, J. Phys. B
21
, 3177
(1988
).24.
25.
26.
R. J. Weiss, X-Ray Determination of Electronic Distributions (Wiley, New York, 1966).
27.
R. A. Bonham and F. Fink, High Energy Electron Scattering (Van Nostrand, New York, 1974).
28.
I. N. Levine, Quantum Chemistry, 4th ed. (Prentice-Hall, Englewood Cliffs, 1991), p. 315.
29.
A. Messiah, Quantum Mechanics (North-Holland, Amsterdam, 1961), Vol. 1, p. 497.
30.
E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, London, 1970), pp. 175–176.
31.
32.
33.
34.
C. E. Moore, Atomic Energy Levels, NSRDS-NBS 35 (Natl. Bur. Stand. U. S., Washington, D. C., 1971), Vol. 1–3;
C. E. Moore, Ionization Potentials and Ionization Limits Derived from the Analysis of Optical Spectra, NSRDS-NBS 34 (Natl. Bur. Stand. U. S., Washington, D. C., 1970).
35.
36.
37.
38.
J. C. Slater, Quantum Theory of Atomic Structure (McGraw-Hill, New York, 1960), Vol. 1, pp. 488–490.
39.
40.
Atomic, Molecular, and Optical Physics Handbook, edited by G. W. F. Drake (American Institute of Physics, Woodbury, 1996), p. 162.
41.
T.
Koga
, Y.
Kasai
, and A. J.
Thakkar
, Int. J. Quantum Chem.
46
, 689
(1993
).42.
43.
44.
45.
J.
Komasa
, W.
Cencek
, and J.
Rychlewski
, Phys. Rev. A
52
, 4500
(1995
).46.
This content is only available via PDF.
© 1997 American Institute of Physics.
1997
American Institute of Physics
You do not currently have access to this content.
