Title of article :
Conical intersection revisited: extension to an elliptic form
Author/Authors :
Baer، نويسنده , , Michael and Mebel، نويسنده , , Alexander M. and Englman، نويسنده , , Robert، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Pages :
8
From page :
243
To page :
250
Abstract :
In this Letter we relate to a general 2×2 diabatic potential matrix for which is derived an analytic expression for the various non-adiabatic coupling terms. Its main advantage is in leading to a simple algorithm to determine the number and the kind of conical intersections one encounters in a (planar) region defined by a closed contour. This approach was tested with respect to two models, one of them is the elliptical linear model. This model was then, further, applied to simulate ab initio results obtained for the C2H molecule.
Journal title :
Chemical Physics Letters
Serial Year :
2002
Journal title :
Chemical Physics Letters
Record number :
1779870
Link To Document :
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