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The Journal of Chemical Physics|February 12, 2014
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densitiesDaniele Varsano, Matteo Barborini, Leonardo GuidoniJournal of Chemical Theory and Computation|August 29, 2024
van der Waals Radii of Free and Bonded Atoms from Hydrogen (Z = 1) to Oganesson (Z = 118)Jorge Charry, Alexandre TkatchenkoThe Journal of Physical Chemistry. B|July 21, 2006
Unequal-sphere packing model for simulation of the uniaxially compressed iodine adlayer on Au(111)Alexandre Tkatchenko, Nikola BatinaThe Journal of Chemical Physics|November 10, 2006
Classification of hexagonal adlayer arrangements by means of collective geometrical propertiesAlexandre Tkatchenko, Nikola BatinaNature Communications|August 3, 2018
Tailoring van der Waals dispersion interactions with external electric chargesAndrii Kleshchonok, Alexandre TkatchenkoJournal of Chemical Theory and Computation|February 16, 2018
Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy ContributionsJan Hermann, Alexandre TkatchenkoPhysical Review Letters|April 28, 2020
Density Functional Model for van der Waals Interactions: Unifying Many-Body Atomic Approaches with Nonlocal FunctionalsJan Hermann, Alexandre TkatchenkoPhysical Review Letters|August 13, 2013
Electronic structure and van der Waals interactions in the stability and mobility of point defects in semiconductorsWang Gao, Alexandre TkatchenkoPhysical Review Letters|March 21, 2015
Sliding mechanisms in multilayered hexagonal boron nitride and graphene: the effects of directionality, thickness, and sliding constraintsWang Gao, 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 21