dorsal/arxiv
View SchemaThe Van der Waals interaction of the hydrogen molecule - an exact local energy density functional
| Authors | T. C. Choy |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/9911096 |
| URL | https://arxiv.org/abs/quant-ph/9911096 |
| DOI | 10.1103/PhysRevA.62.012506 |
| Journal | Physical Review A vol 62 12506 (2000) |
Abstract
We verify that the van der Waals interaction and hence all dispersion interactions for the hydrogen molecule given by: W"= -{A/R^6}-{B/R^8}-{C/R^10}- ..., in which R is the internuclear separation, are exactly soluble. The constants A=6.4990267..., B=124.3990835 ... and C=1135.2140398... (in Hartree units) first obtained approximately by Pauling and Beach (PB) [1] using a linear variational method, can be shown to be obtainable to any desired accuracy via our exact solution. In addition we shall show that a local energy density functional can be obtained, whose variational solution rederives the exact solution for this problem. This demonstrates explicitly that a static local density functional theory exists for this system. We conclude with remarks about generalising the method to other hydrogenic systems and also to helium.
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"abstract": "We verify that the van der Waals interaction and hence all dispersion\ninteractions for the hydrogen molecule given by: W\"= -{A/R^6}-{B/R^8}-{C/R^10}-\n..., in which R is the internuclear separation, are exactly soluble. The\nconstants A=6.4990267..., B=124.3990835 ... and C=1135.2140398... (in Hartree\nunits) first obtained approximately by Pauling and Beach (PB) [1] using a\nlinear variational method, can be shown to be obtainable to any desired\naccuracy via our exact solution. In addition we shall show that a local energy\ndensity functional can be obtained, whose variational solution rederives the\nexact solution for this problem. This demonstrates explicitly that a static\nlocal density functional theory exists for this system. We conclude with\nremarks about generalising the method to other hydrogenic systems and also to\nhelium.",
"arxiv_id": "quant-ph/9911096",
"authors": [
"T. C. Choy"
],
"categories": [
"quant-ph",
"cond-mat.str-el",
"physics.atm-clus",
"physics.chem-ph"
],
"doi": "10.1103/PhysRevA.62.012506",
"journal_ref": "Physical Review A vol 62 12506 (2000)",
"title": "The Van der Waals interaction of the hydrogen molecule - an exact local energy density functional",
"url": "https://arxiv.org/abs/quant-ph/9911096"
},
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