dorsal/arxiv
View SchemaTheory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles
| Authors | Milan Sindelka, Nimrod Moiseyev |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/0601195 |
| URL | https://arxiv.org/abs/quant-ph/0601195 |
| DOI | 10.1021/jp057120j |
Abstract
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to a variety of specific applications. Such as, alignment or orientation of molecules by lasers, trapping of ultracold molecules in optical traps, molecular optics and interferometry, rovibrational spectroscopy of molecules in the presence of intense laser light, or generation of high order harmonics from molecules. Starting from the first quantum mechanical principles, we derive an appropriate molecular Hamiltonian suitable for description of the center of mass, rotational, vibrational and electronic molecular motions driven by the field within the electric dipole approximation. Consequently, the concept of the Born-Oppenheimer separation between the electronic and the nuclear degrees of freedom in the presence of an electromagnetic field is introduced. Special cases of the dc/ac field limits are then discussed separately. Finally, we consider a perturbative regime of a weak dc/ac field, and obtain simple analytic formulas for the associated Born-Oppenheimer translational/rotational/vibrational molecular Hamiltonian.
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"abstract": "We study a general problem of the\ntranslational/rotational/vibrational/electronic dynamics of a diatomic molecule\nexposed to an interaction with an arbitrary external electromagnetic field. The\ntheory developed in this paper is relevant to a variety of specific\napplications. Such as, alignment or orientation of molecules by lasers,\ntrapping of ultracold molecules in optical traps, molecular optics and\ninterferometry, rovibrational spectroscopy of molecules in the presence of\nintense laser light, or generation of high order harmonics from molecules.\nStarting from the first quantum mechanical principles, we derive an appropriate\nmolecular Hamiltonian suitable for description of the center of mass,\nrotational, vibrational and electronic molecular motions driven by the field\nwithin the electric dipole approximation. Consequently, the concept of the\nBorn-Oppenheimer separation between the electronic and the nuclear degrees of\nfreedom in the presence of an electromagnetic field is introduced. Special\ncases of the dc/ac field limits are then discussed separately. Finally, we\nconsider a perturbative regime of a weak dc/ac field, and obtain simple\nanalytic formulas for the associated Born-Oppenheimer\ntranslational/rotational/vibrational molecular Hamiltonian.",
"arxiv_id": "quant-ph/0601195",
"authors": [
"Milan Sindelka",
"Nimrod Moiseyev"
],
"categories": [
"quant-ph"
],
"doi": "10.1021/jp057120j",
"title": "Theory of diatomic molecules in an external electromagnetic field from first quantum mechanical principles",
"url": "https://arxiv.org/abs/quant-ph/0601195"
},
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