Abstract
A new variational lower bound to the overlap between an approximate excited-state wave-function and the corresponding unknown exact eigenfunctinn is obtained. The new bound generalizes the classic lower bound of Eckart valid for a ground-state trial function. Numerical values for the helium atom show that the bounds are highly effective.
Original language | English |
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Pages (from-to) | 498-503 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 9 |
Issue number | 6 |
DOIs | |
State | Published - 15 Jun 1971 |