Title of article :
Pair annihilation of conical intersections and a study to infer the phenomenon
Author/Authors :
Vértesi، نويسنده , , T and Bene، نويسنده , , E، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Pages :
6
From page :
17
To page :
22
Abstract :
The fact known from ab initio calculations, that in molecular systems with real Hamiltonian, surrounding a two-state conical intersection (ci) with a small circle in the configuration space of nuclear coordinates the angle of the adiabatic-to-diabatic transformation (ADT) matrix forms a phase of ±π, is rigorously proved for the most general case and a condition is given to decide whether +π or −π values should be assigned to the particular seam of ci. We show how can be explained on a straightforward way the disappearance i.e. the `pair annihilationʹ of conical intersections with the aid of ±sign attached to the ci.
Journal title :
Chemical Physics Letters
Serial Year :
2004
Journal title :
Chemical Physics Letters
Record number :
1784874
Link To Document :
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