Showing results (41-50 of 196) with videos related to
Sort By:
Pageof 20
The Journal of Chemical Physics|March 6, 2024
Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimersMatej Ditte, Matteo Barborini, Alexandre TkatchenkoJournal of Chemical Theory and Computation|April 30, 2025
Molecule-Environment Embedding with Quantum Monte Carlo: Electrons Interacting with Drude OscillatorsMatej Ditte, Matteo Barborini, Alexandre TkatchenkoThe Journal of Chemical Physics|October 15, 2025
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillatorsAlmaz Khabibrakhmanov, Dmitry V Fedorov, Alberto Ambrosetti, et al.Physical Review Letters|September 5, 2015
Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal SurfacesJavier Camarillo-Cisneros, Wei Liu, Alexandre TkatchenkoChemical Society Reviews|June 14, 2019
Theory and practice of modeling van der Waals interactions in electronic-structure calculationsMartin Stöhr, Troy Van Voorhis, Alexandre TkatchenkoThe Journal of Chemical Physics|March 1, 2013
Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theoremAlexandre Tkatchenko, Alberto Ambrosetti, Robert A DiStasioThe Journal of Chemical Physics|March 17, 2018
Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materialsIgor Poltavsky, Robert A DiStasio, Alexandre TkatchenkoJournal of Chemical Theory and Computation|July 17, 2024
Four-Dimensional Scaling of Dipole Polarizability: From Single-Particle Models to Atoms and MoleculesSzabolcs Góger, Mohammad Reza Karimpour, Alexandre TkatchenkoJournal of Chemical Theory and Computation|October 24, 2023
Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude OscillatorsAlmaz Khabibrakhmanov, Dmitry V Fedorov, Alexandre TkatchenkoChemical Reviews|March 9, 2017
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and ApplicationsJan Hermann, Robert A DiStasio, Alexandre TkatchenkoPageof 20