dorsal/arxiv
View SchemaGuided random walk calculation of energies and $<\sq {r^2} >$ values of the $^1\Sigma_g$ state of H_2 in a magnetic field
| Authors | Mario Encinosa |
|---|---|
| Categories | |
| ArXiv ID | physics/9810030 |
| URL | https://arxiv.org/abs/physics/9810030 |
| DOI | 10.1103/PhysRevA.59.2521 |
Abstract
Energies and spatial observables for the $^1\Sigma_g$ state of the hydrogen molecule in magnetic fields parallel to the proton-proton axis are calculated with a guided random walk Feynman-Kac algorithm. We demonstrate that the accuracy of the results and the simplicity of the method may prove it a viable alternative to large basis set expansions for small molecules in applied fields.
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"abstract": "Energies and spatial observables for the $^1\\Sigma_g$ state of the hydrogen\nmolecule in magnetic fields parallel to the proton-proton axis are calculated\nwith a guided random walk Feynman-Kac algorithm. We demonstrate that the\naccuracy of the results and the simplicity of the method may prove it a viable\nalternative to large basis set expansions for small molecules in applied\nfields.",
"arxiv_id": "physics/9810030",
"authors": [
"Mario Encinosa"
],
"categories": [
"physics.atm-clus",
"physics.atom-ph"
],
"doi": "10.1103/PhysRevA.59.2521",
"title": "Guided random walk calculation of energies and $\u003c\\sq {r^2} \u003e$ values of the $^1\\Sigma_g$ state of H_2 in a magnetic field",
"url": "https://arxiv.org/abs/physics/9810030"
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