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The Journal of Chemical Physics|July 10, 2017
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis setsEmanuele Coccia, Roland Assaraf, Eleonora Luppi, et al.Journal of Chemical Information and Modeling|March 13, 2012
Atomdroid: a computational chemistry tool for mobile platformsJonas Feldt, Ricardo A Mata, Johannes M DieterichJournal of Chemical Theory and Computation|July 27, 2019
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and GeometriesMonika Dash, Jonas Feldt, Saverio Moroni, et al.The Journal of Chemical Physics|November 24, 2018
Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approachEmmanuel Giner, Barthélemy Pradines, Anthony Ferté, et al.Physical Chemistry Chemical Physics : PCCP|May 17, 2018
Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanicsFlip de Jong, Milica Feldt, Jonas Feldt, et al.The Journal of Physical Chemistry. A|May 17, 2012
Study of specific ion-amino acid interactions through the use of local correlation methodsJoão C A Oliveira, Jonas Feldt, Nuno Galamba, et al.The Journal of Chemical Physics|January 1, 2018
Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics programJonas Feldt, Sebastião Miranda, Frederico Pratas, et al.Journal of Chemical Theory and Computation|May 15, 2019
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of ProgramsYann Garniron, Thomas Applencourt, Kevin Gasperich, et al.Pageof 2