Abstract
The determination of an approximate wavefunction in the form ∑i=1 n Aiexp(-bir2), 1≤n≤10, by minimization of the variance, ∫|(H-E)ψ| 2dτ, is tested on the H atom. Obstacles to using other definitions of variance are discussed. Results are less favorable than those obtained by minimization of 〈H〉, but improve rapidly as n increases.
| Original language | English |
|---|---|
| Pages (from-to) | 5214-5222 |
| Number of pages | 9 |
| Journal | Journal of Chemical Physics |
| State | Published - 1968 |
| Externally published | Yes |
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All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
Cite this
Gaussian-orbital approximation for the hydrogen atom by minimization of variance. / Rendell, Marc; Arents, John.
In: Journal of Chemical Physics, 1968, p. 5214-5222.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Gaussian-orbital approximation for the hydrogen atom by minimization of variance
AU - Rendell, Marc
AU - Arents, John
PY - 1968
Y1 - 1968
N2 - The determination of an approximate wavefunction in the form ∑i=1 n Aiexp(-bir2), 1≤n≤10, by minimization of the variance, ∫|(H-E)ψ| 2dτ, is tested on the H atom. Obstacles to using other definitions of variance are discussed. Results are less favorable than those obtained by minimization of 〈H〉, but improve rapidly as n increases.
AB - The determination of an approximate wavefunction in the form ∑i=1 n Aiexp(-bir2), 1≤n≤10, by minimization of the variance, ∫|(H-E)ψ| 2dτ, is tested on the H atom. Obstacles to using other definitions of variance are discussed. Results are less favorable than those obtained by minimization of 〈H〉, but improve rapidly as n increases.
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UR - http://www.scopus.com/inward/citedby.url?scp=36849107505&partnerID=8YFLogxK
M3 - Article
SP - 5214
EP - 5222
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
ER -