Title of article :
Exploring conical intersection spaces using pseudo-dynamics and band optimization: a novel strategy Original Research Article
Author/Authors :
Daniele Passerone، نويسنده , , Teodoro Laino، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2005
Pages :
4
From page :
305
To page :
308
Abstract :
Recently, novel strategies based on pseudo-dynamics methods [T. Laino, D. Passerone, Chem. Phys. Lett. 389 (2004) 1] provided new technologies for sampling in an efficient way the seam of a conical intersection. In this contribution, after briefly reviewing the main features of our method, we show on one side how the results on ethylene anticipated in our previous paper are confirmed by calculation with a more accurate basis. Moreover, we show preliminary results on the topological properties of the seam of a retinal model fragment.
Keywords :
Conical intersections , Retinal , Band optimization , Ethylene , Pseudo-dynamics
Journal title :
Computer Physics Communications
Serial Year :
2005
Journal title :
Computer Physics Communications
Record number :
1136892
Link To Document :
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