We have obtained some exact solutions for a solvable model for the hydrogen molecular ion where the Coulomb interaction between the electron and the nuclei is replaced by a harmonic potential. We have also obtained the solutions to this model within the ordinary Born-Oppenheimer (BO) approximation for the electronic and nuclear degrees of freedom. The model shows some of the qualitative features of the real system and allows for a detailed study of non-adiabatic effects on the electronic structure through the calculation of the first-order corrections to the BO approximation, resulting from the nuclear kinetic energy and the vibronic coupling. The results are of interest in the context of non-adiabatic treatment of molecules and for the description of molecules in external magnetic fields.
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Univ Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, FranceUniv Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, France
Joyeux, M
Sugny, D
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Univ Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, FranceUniv Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, France
Sugny, D
Lombardi, MI
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Univ Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, FranceUniv Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, France
机构:
Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Nicolaus Copernicus Univ, Interdisciplinary Ctr Modern Technol, Ul Wilenska 4, PL-87100 Torun, PolandUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Adamowicz, Ludwik
Stanke, Monika
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Nicolaus Copernicus Univ, Inst Phys, Fac Phys Astron & Informat, Ul Grudzidzka 5, PL-87100 Torun, PolandUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Stanke, Monika
Tellgren, Erik
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Univ Oslo, Dept Chem, CTCC, POB 1033, N-0315 Oslo, NorwayUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Tellgren, Erik
Helgaker, Trygve
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h-index: 0
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Univ Oslo, Dept Chem, CTCC, POB 1033, N-0315 Oslo, NorwayUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
机构:
Univ Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, FranceUniv Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, France
Joyeux, M
Sugny, D
论文数: 0引用数: 0
h-index: 0
机构:
Univ Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, FranceUniv Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, France
Sugny, D
Lombardi, MI
论文数: 0引用数: 0
h-index: 0
机构:
Univ Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, FranceUniv Grenoble 1, CNRS UMR 5588, Lab Spectrometrie Phys, F-38402 St Martin Dheres, France
机构:
Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Nicolaus Copernicus Univ, Interdisciplinary Ctr Modern Technol, Ul Wilenska 4, PL-87100 Torun, PolandUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Adamowicz, Ludwik
Stanke, Monika
论文数: 0引用数: 0
h-index: 0
机构:
Nicolaus Copernicus Univ, Inst Phys, Fac Phys Astron & Informat, Ul Grudzidzka 5, PL-87100 Torun, PolandUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Stanke, Monika
Tellgren, Erik
论文数: 0引用数: 0
h-index: 0
机构:
Univ Oslo, Dept Chem, CTCC, POB 1033, N-0315 Oslo, NorwayUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
Tellgren, Erik
Helgaker, Trygve
论文数: 0引用数: 0
h-index: 0
机构:
Univ Oslo, Dept Chem, CTCC, POB 1033, N-0315 Oslo, NorwayUniv Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA