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
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