Construction scheme for regularized diabatic states

dc.contributor.author	Köppel, H.
dc.contributor.author	Gronki, J.
dc.contributor.author	Mahapatra, S.
dc.date.accessioned	2022-03-27T00:15:56Z
dc.date.available	2022-03-27T00:15:56Z
dc.date.issued	2001-08-08
dc.description.abstract	A simple scheme for constructing quasidiabatic electronic states is demonstrated. The scheme focuses on those derivative coupling terms which become singular at a degeneracy. For demonstration purposes, the scheme is extended to the cases of symmetry-allowed seams of intersections occurring in H2S and O3 and relevant to the photodissociation in those species.
dc.identifier.citation	Journal of Chemical Physics. v.115(6)
dc.identifier.issn	00219606
dc.identifier.uri	10.1063/1.1383986
dc.identifier.uri	http://aip.scitation.org/doi/10.1063/1.1383986
dc.identifier.uri	https://dspace.uohyd.ac.in/handle/1/3023
dc.title	Construction scheme for regularized diabatic states
dc.type	Journal. Article
dspace.entity.type

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