An interacting quantum atom study of model SN2 reactions (X–···CH3X, X = F, Cl, Br, and I)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25098
Abstract: The quantum chemical topology method has been used to analyze the energetic profiles in the X– + CH3X → XCH3 + X–SN2 reactions, with X = F, Cl, Br, and I. The evolution of the electron density properties at the BCPs… read more here.
Keywords: sn2 reactions; interacting quantum; study model; quantum atom ... See more keywords
A fast approximate extension of the interacting quantum atoms energy decomposition to excited states
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26863
Abstract: An approach is developed for the fast calculation of the interacting quantum atoms energy decomposition (IQA) from the information contained in the first order reduced density matrix only. The proposed methodology utilizes an approximate exchange‐correlation… read more here.
Keywords: density; quantum atoms; excited states; energy ... See more keywords
Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00744
Abstract: We present a quantum dynamics method based on the propagation of interacting quantum trajectories to describe both adiabatic and nonadiabatic processes within the same formalism. The idea originates from the work of Poirier [Chem. Phys.2010,370,… read more here.
Keywords: quantum dynamics; quantum; adiabatic nonadiabatic; quantum trajectories ... See more keywords
Losses in interacting quantum gases: Ultraviolet divergence and its regularization
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review A"
DOI: 10.1103/physreva.104.l031304
Abstract: We investigate the effect of losses on an interacting quantum gas. We show that, for gases in dimension higher than one, assuming together a vanishing correlation time of the reservoir where dissipation occurs, and contact… read more here.
Keywords: time; interacting quantum; divergence; energy ... See more keywords
Fluctuation-driven Coulomb drag in interacting quantum dot systems
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.081404
Abstract: The work was supported by the CAIB predoctoral grant and the fellowships for research internships of the government of Balearic Islands. D.S. acknowledges support from Grant No. MAT2017-82639. K.K. acknowledges support from the European Union's… read more here.
Keywords: driven coulomb; coulomb drag; quantum dot; interacting quantum ... See more keywords
Periodic and quasiperiodic revivals in periodically driven interacting quantum systems
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.97.020303
Abstract: Recently it has been shown that interparticle interactions\emph ongenerically\emph default destroy dynamical localization in periodically driven systems, resulting in diffusive transport and heating. In this work we rigorously construct a family of interacting driven systems… read more here.
Keywords: quasiperiodic revivals; interacting quantum; driven interacting; periodic quasiperiodic ... See more keywords
Electron Waiting Times in a Strongly Interacting Quantum Dot: Interaction Effects and Higher-Order Tunneling Processes.
Sign Up to like & getrecommendations! Published in 2021 at "Physical review letters"
DOI: 10.1103/physrevlett.127.096803
Abstract: Distributions of electron waiting times have been measured in several recent experiments and have been shown to provide complementary information compared with what can be learned from the electric current fluctuations. Existing theories, however, are… read more here.
Keywords: tunneling processes; interacting quantum; higher order; order tunneling ... See more keywords
Two Dimensional Bright and Dark Magnetoexcitons Interacting with Quantum Point Vortices
Sign Up to like & getrecommendations! Published in 2019 at "Semiconductors"
DOI: 10.1134/s1063782619120182
Abstract: Two Dimensional Bright and Dark Magnetoexcitons Interacting with Quantum Point Vortices Moskalenko Sveatoslav, , Podlesny Igor, Institute of Applied Physics Semiconductors Nr. 16(53) / 2019 / ISSN 1063-7826 Disponibil online 9 March, 2020. Descarcări-0. Vizualizări-223… read more here.
Keywords: point vortices; quantum point; interacting quantum; dimensional bright ... See more keywords