Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism

Author： Zobač Vladimír   Lewis James P   Abad Enrique   Mendieta-Moreno Jesús I   Hapala Prokop   Jelínek Pavel   Ortega José  

Publisher： IOP Publishing

E-ISSN： 1361-648X|27|17|175002-175012

ISSN： 0953-8984

Source： Journal of Physics: Condensed Matter, Vol.27, Iss.17, 2015-05, pp. : 175002-175012

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