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.
| Language | English |
|---|---|
| Pages | 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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On the approximate calculation of eigenfunctions. / Gray, B. F.
In: The Journal of Chemical Physics, Vol. 29, No. 6, 1958, p. 1246-1247.Research output: Contribution to journal › Article › Research › peer-review
TY - JOUR
T1 - On the approximate calculation of eigenfunctions
AU - Gray, B. F.
PY - 1958
Y1 - 1958
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=36849116830&partnerID=8YFLogxK
M3 - Article
VL - 29
SP - 1246
EP - 1247
JO - The Journal of Chemical Physics
T2 - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
SN - 0021-9606
IS - 6
ER -