Showing results (1-10 of 22) with videos related to
Sort By:
Pageof 3
The Journal of Physical Chemistry. A|February 25, 2016
Neutral, Anionic, and Cationic Manganese Dimers through Density Functional TheoryMatteo BarboriniJournal of Chemical Theory and Computation|November 19, 2015
π-Conjugation in trans-1,3-butadiene: static and dynamical electronic correlations described through quantum Monte CarloMatteo Barborini, Leonardo GuidoniJournal of Chemical Theory and Computation|September 26, 2015
Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum MechanicsMatteo Barborini, Leonardo GuidoniThe Journal of Chemical Physics|December 20, 2012
Reaction pathways by quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobuteneMatteo Barborini, Leonardo GuidoniJournal of Chemical Theory and Computation|December 9, 2015
Investigating Disjoint Non-Kekulé Diradicals with Quantum Monte Carlo: The Tetramethyleneethane Molecule through the Jastrow Antisymmetrized Geminal Power Wave FunctionMatteo Barborini, Emanuele CocciaThe Journal of Chemical Physics|October 27, 2016
Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte CarloMatteo Barborini, Leonardo GuidoniThe Journal of Chemical Physics|February 12, 2014
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densitiesDaniele Varsano, Matteo Barborini, Leonardo GuidoniThe 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 TkatchenkoJournal of Chemical Theory and Computation|March 18, 2014
Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of EthyleneMatteo Barborini, Sandro Sorella, Leonardo GuidoniPageof 3