Boundary-condition-determined wave function for the ground state of helium and isoelectronic ions
DSpace at IIT Bombay
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Title |
Boundary-condition-determined wave function for the ground state of helium and isoelectronic ions
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Creator |
KLEINEKATHOFER, U
PATIL, SH TANG, KT TOENNIES, JP |
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Subject |
3-body atomic wavefunctions
analytic expansions coordinate systems variational calculations 2-electron systems fock expansion energies series terms |
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Description |
A simple nonvariational wave function for two electron atoms is described. The radial part is derived from the asymptotic one-electron wave functions that are modified to account for the proper core boundary conditions. The electron-electron correlation is described by an ansatz which has the correct behavior for r(12)-->0 and r(12)-->infinity. The additional parameter in this ansatz is calculated from a perturbation calculation. This wave function yields ground-state energies for the heliumlike atoms with Z=1 (H-) to 10 (Ne8+) within 0.0021-0.0068E(h) of the exact energies, which is significantly better than obtained with previous models. We also calculated [r(2n)] and multipolar polarizabilities and performed other tests on this wave function.
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Publisher |
AMERICAN PHYSICAL SOC
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Date |
2011-07-17T11:32:12Z
2011-12-26T12:50:16Z 2011-12-27T05:36:28Z 2011-07-17T11:32:12Z 2011-12-26T12:50:16Z 2011-12-27T05:36:28Z 1996 |
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Type |
Article
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Identifier |
PHYSICAL REVIEW A, 54(4), 2840-2849
1050-2947 http://dx.doi.org/10.1103/PhysRevA.54.2840 http://dspace.library.iitb.ac.in/xmlui/handle/10054/4716 http://hdl.handle.net/10054/4716 |
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Language |
en
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