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The Journal of Chemical Physics|January 9, 2017
Analytic gradients for natural orbital functional theoryIon Mitxelena, Mario PirisThe Journal of Chemical Physics|June 8, 2022
Benchmarking GNOF against FCI in challenging systems in one, two, and three dimensionsIon Mitxelena, Mario PirisJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 18, 2020
An efficient method for strongly correlated electrons in one dimensionIon Mitxelena, Mario PirisThe Journal of Physical Chemistry. B|April 8, 2006
Bonding in methylalkalimetals (CH(3)M)(n) (M = Li, Na, K; n = 1, 4). Agreement and divergences between AIM and ELF analysesEduard Matito, Jordi Poater, F Matthias Bickelhaupt, et al.Journal of Chemical Theory and Computation|November 25, 2015
Toward a Unique Definition of the Local SpinEloy Ramos-Cordoba, Eduard Matito, István Mayer, et al.Physical Chemistry Chemical Physics : PCCP|December 6, 2022
Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexesYago García-Rodeja, Ferran Feixas, Eduard Matito, et al.Physical Chemistry Chemical Physics : PCCP|October 12, 2012
Local spins: improved Hilbert-space analysisEloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, et al.The Journal of Chemical Physics|February 16, 2024
Time evolution of natural orbitals in ab initio molecular dynamicsAlejandro Rivero Santamaría, Mario PirisThe Journal of Chemical Physics|May 12, 2023
Contactium: A strongly correlated model systemJerzy Cioslowski, Berthold-Georg Englert, Martin-Isbjörn Trappe, et al.Journal of Chemical Theory and Computation|December 1, 2015
Electron Localization Function at the Correlated Level: A Natural Orbital FormulationFerran Feixas, Eduard Matito, Miquel Duran, et al.Pageof 19