Title of article
Two-electron wavefunctions.: Fourteenth-order expectation values
Author/Authors
Erwin B. Montgomery Jr، نويسنده , , H.E.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
5
From page
468
To page
472
Abstract
Variational perturbation theory is used to calculate a 14-order ground-state wavefunction for two electrons moving about a nucleus of charge Z. Fractional exponents are used to approximate the logarithmic terms in the exact wavefunction. Perturbation expansion coefficients for 15 operators are then calculated. Estimates of the accuracy of the calculation are obtained by comparison with exactly known first-order expectation values and with expectation values recovered from the perturbation energies of Baker, Freund, Hill and Morgan (Phys. Rev. A 41 (1990) 1247).
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1775312
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