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Title
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Applications of the generator-coordinate approximation to diatomic systems : 3 : curve-crossing problems
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Author
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Abstract
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| The generator coordinate approximation, previously applied to vibration-rotation levels near potential-energy minima, is now worked out for curve-crossing situations. We define the weak and strong adiabatic coupling limits. For weak adiabatic coupling both the adiabatic and generator coordinate approximations become exact. In the strong adiabatic coupling limit the adiabatic approximation breaks down, whereas the generator coordinate approximation again reproduces the exact solutions. These theoretical results are confirmed by calculations for a Hamiltonian modeled to the EF,GK 1-SIGMA(g)+ curve crossing in the electronic spectrum of the hydrogen molecule. |
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Language
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English
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Source (journal)
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The journal of chemical physics. - New York, N.Y.
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Publication
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New York, N.Y.
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1990
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ISSN
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0021-9606
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DOI
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10.1063/1.459233
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Volume/pages
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93
:12
(1990)
, p. 8945-8953
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ISI
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A1990EP16000061
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Full text (Publisher's DOI)
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