Upper bounds to the overlap between approximate and exact wave functions
Keyword(s):
Rigorous lower and upper bounds to the eigenvalues E of a quantum-mechanical system with Hamiltonian operator H are derived from the Gramian determinant of a set of suitably chosen functions. This procedure, which also yields a rigorous upper bound to the overlap between a given trial function and the corresponding (unknown) exact eigenfunction, is shown to be equivalent to a generalization of the classical procedure of Weinstein. In the absence of a rigorous lower bound to the overlap, the present procedure provides a practical method of assessing the influence of the ground state on a given trial function for an excited state.
1989 ◽
Vol 04
(26)
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pp. 2519-2529
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2001 ◽
Vol 16
(17)
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pp. 2909-2944
1993 ◽
Vol 08
(29)
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pp. 5101-5113
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Keyword(s):
1985 ◽
Vol 82
(9)
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pp. 4199-4220
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Keyword(s):