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Ultrafast TACOS -- Terahertz-Assisted Chiro-Optical Spectroscopy

Autor: Terentjevas, Justas, Vindel-Zandbergen, Patricia, Rego, Laura, Morales, Felipe, Ordóñez, Andrés, Smirnova, Olga, Ayuso, David

We bring together the advantages of terahertz (THz) and optical spectroscopies to introduce TACOS (Terahertz-Assisted Chiro-Optical Spectroscopy), a novel approach for ultrafast and highly efficient imaging of molecular chirality and control over chi

Externí odkaz: http://arxiv.org/abs/2406.14258

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Non adiabatic dynamics of photoexcited cyclobutanone: predicting structural measurements from trajectory surface hopping with XMS-CASPT2 simulations

Autor: Vindel-Zandbergen, Patricia, González-Vázquez, Jesús

For years, theoretical calculations and scalable computer simulations have complemented ultrafast experiments as they offer the advantage to overcome experimental restrictions and have access to the whole dynamics. This synergy between theory and exp

Externí odkaz: http://arxiv.org/abs/2402.11090

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Computing parameter planes of iterative root-finding methods with several free critical points

Autor: Campos, Beatriz, Canela, Jordi, Rodríguez-Arenas, Alberto, Vindel, Pura

In this paper we present an algorithm to obtain the parameter planes of families of root-finding methods with several free critical points. The parameter planes show the joint behaviour of all critical points. This algorithm avoids the inconsistencie

Externí odkaz: http://arxiv.org/abs/2401.06207

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Chiral coherent control of electronic population transfer: towards all-optical and highly enantioselective photochemistry

Autor: Ordóñez, Andrés, Vindel-Zandbergen, Patricia, Ayuso, David

Recent experiments have demonstrated highly enantioselective population transfer among rotational states using microwave fields with non-coplanar polarizations, a milestone in our ability to control chiral molecules. Extending this ability to the opt

Externí odkaz: http://arxiv.org/abs/2309.02392

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Different Flavors of Exact-Factorization-Based Mixed Quantum-Classical Methods for Multistate Dynamics

Autor: Arribas, Evaristo Villaseco, Vindel-Zandbergen, Patricia, Roy, Saswata, Maitra, Neepa T.

The exact factorization approach has led to the development of new mixed quantum-classical methods for simulating coupled electron-ion dynamics. We compare their performance for dynamics when more than two electronic states are occupied at a given ti

Externí odkaz: http://arxiv.org/abs/2307.11535

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