Abstract
The relationship between the Delves variational procedure for calculating expectation values and Dalgarno's perturbation method based on an interchange theorem are investigated in general. Calculations on model one-electron systems suggest that direct calculation of non-variational expectation values may yield more accurate results with less computational effort than either the variational or the perturbation method.
Original language | English |
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Pages (from-to) | 14-20 |
Number of pages | 7 |
Journal | Chemical Physics Letters |
Volume | 25 |
Issue number | 1 |
DOIs | |
State | Published - 1 Mar 1974 |
Externally published | Yes |