Abstract
A method is given for determining the variable parameters in a trial wave function which is independent of the minimum energy criterion. The energy is given as the root of a secular equation, but the value obtained may be above or below the true value. It is shown that the results of the method approach those of the standard one as the trial function becomes a better approximation to the true one, by applying it to the series of two-electron ions.
| Original language | English |
|---|---|
| Pages (from-to) | 1246-1247 |
| Number of pages | 2 |
| Journal | The Journal of Chemical Physics |
| Volume | 29 |
| Issue number | 6 |
| Publication status | Published - 1958 |
| Externally published | Yes |
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Cite this
Gray, B. F. (1958). On the approximate calculation of eigenfunctions. The Journal of Chemical Physics, 29(6), 1246-1247.