On the peculiarities of the diabatic framework: new insight.
In this article we consider the electronic diabatic presentation of a two-state system with the aim of earning insight regarding the distribution of conical intersections in a given region. In this process we revealed explicit relationship between the diabatic potentials and the locations of conical intersections. The study is accompanied with numerical examples as worked out for a model and ab initio potential energy surfaces of the Na+H2 system.
Department of Theoretical Physics, University of Debrecen, Debrecen, Hungary.
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Ve'rtesi
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Vibok
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GJ
Halasz
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M
Baer