Many-particle Sturmians

作者: John Avery

DOI: 10.1023/A:1019182705271

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摘要: The weighted orthonormality relations for many-particle Sturmian basis functions are derived both in momentum space and position space. It is shown that when these used as a basis, the kinetic energy term disappears from Schrodinger equation. A general method developed constructing many-electron sets one-electron Sturmians. This illustrated by applications to atoms ions H2 molecule. direct solution of equation using Sturmianbasis offers useful alternative Hartree–Fock approximation configuration interaction; it leads an automatic optimization orbital exponents.

参考文章(18)
Manuel Rotenberg, Theory and Application of Sturmian Functions Advances in atomic and molecular physics. ,vol. 6, pp. 233- 268 ,(1970) , 10.1016/S0065-2199(08)60206-7
Toshikatsu Koga, Toshiyuki Matsuhashi, One‐electron diatomics in momentum space. V. Nonvariational LCAO approach Journal of Chemical Physics. ,vol. 89, pp. 983- 986 ,(1988) , 10.1063/1.455168
Harrison Shull, Per‐Olov Löwdin, Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem The Journal of Chemical Physics. ,vol. 30, pp. 617- 626 ,(1959) , 10.1063/1.1730019
Vincenzo Aquilanti, Simonetta Cavalli, Dario De Fazio, ANGULAR AND HYPERANGULAR MOMENTUM COUPLING COEFFICIENTS AS HAHN POLYNOMIALS The Journal of Physical Chemistry. ,vol. 99, pp. 15694- 15698 ,(1995) , 10.1021/J100042A052
Vincenzo Aquilanti, John Avery, Generalized potential harmonics and contracted sturmians Chemical Physics Letters. ,vol. 267, pp. 1- 8 ,(1997) , 10.1016/S0009-2614(97)00834-8
J.L Ballot, M Fabre de la Ripelle, Application of the Hyperspherical Formalism to the Trinucleon Bound State Problems Annals of Physics. ,vol. 127, pp. 62- 125 ,(1980) , 10.1016/0003-4916(80)90150-5
E. Joachim Weniger, Weakly convergent expansions of a plane wave and their use in Fourier integrals Journal of Mathematical Physics. ,vol. 26, pp. 276- 291 ,(1985) , 10.1063/1.526970
Murray Geller, Two-Center Coulomb Integrals Journal of Chemical Physics. ,vol. 41, pp. 4006- 4007 ,(1964) , 10.1063/1.1725859