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Andrey Laktionov

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Related publications (5)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Capturing Non-local Effects in Kohn-Sham Density Functional Theory : Dispersion and Charge Transfer Phenomena

Andrey Laktionov

Density Functional Theory (DFT) and its time-dependent extension (TDDFT) have become two of the most popular approaches for computer simulations of the electronic structure and response properties of quantum systems. A reasonable compromise between accurac ...

EPFL2014

Charge transfer relaxation in donor–acceptor type conjugated materials

Ursula Röthlisberger, Natalie Renuka Banerji, Mariateresa Scarongella, Andrey Laktionov

The development of conjugated materials bearing electron-rich and electron-poor units along their backbone introduces new possibilities to control functionality for organic electronic applications through charge transfer character in ground and excited sta ...

Royal Society of Chemistry2013

Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) simulations of Adiabatic and Nonadiabatic Ultrafast Phenomena

Ursula Röthlisberger, Ivano Tavernelli, Basile Curchod, Thomas James Penfold, Pablo Campomanes Ramos, Marilisa Neri, Stefano Vanni, Andrey Laktionov

A thorough theoretical description of ultrafast phenomena that occur in complex systems constitutes a formidable challenge. It not only necessitates the use of quantum mechanical methods that can describe ground and possibly even electronically excited sta ...

Schweizerische Chemische Gesellschaft2011