Citation Impact
Citing Papers
Recent developments in libxc — A comprehensive library of functionals for density functional theory
2017
Dynamic optical response of solids following 1-fs-scale photoinjection
2023 StandoutNatureNobel
The calculations of excited-state properties with Time-Dependent Density Functional Theory
2012 Standout
Electrical polarization and orbital magnetization: the modern theories
2010
Density functional theory for transition metals and transition metal chemistry
2009
Impact of the Electronic Band Structure in High-Harmonic Generation Spectra of Solids
2017
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
2009 Standout
Generation and Evolution of Spin-, Valley-, and Layer-Polarized Excited Carriers in Inversion-Symmetric WSe 2
2016
The roles of photo-carrier doping and driving wavelength in high harmonic generation from a semiconductor
2017 StandoutNobel
Time-dependent density-functional theory in massively parallel computer architectures: the octopus project
2012
Quantum Theory of Orbital Magnetization and Its Generalization to Interacting Systems
2007
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory
2018
Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation
2011 Standout
The ORCA quantum chemistry program package
2020 Standout
Probing the interplay between geometric and electronic-structure features via high-harmonic spectroscopy
2019 StandoutNobel
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
2013 Standout
Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems: A Step Beyond Generalized Gradient Approximations
2017
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Challenges for Density Functional Theory
2011 Standout
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Variational second order density matrix study of $\mathrm{F_3^-}$F3−: Importance of subspace constraints for size-consistency
2011
Libxc: A library of exchange and correlation functionals for density functional theory
2012
Recent advances and applications of machine learning in solid-state materials science
2019 Standout
Fractional charge perspective on the band gap in density-functional theory
2008
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices
2015 StandoutNobel
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
2010 Standout
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Maximally localized Wannier functions: Theory and applications
2012 Standout
TD-DFT benchmarks: A review
2013
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
2015 Standout
Insights into Current Limitations of Density Functional Theory
2008 StandoutScience
Deep learning and density-functional theory
2019
Enhancement of Exciton–Phonon Scattering from Monolayer to Bilayer WS2
2018 StandoutNobel
Colloquium: Strong-field phenomena in periodic systems
2018 StandoutNobel
Berry phase effects on electronic properties
2010 Standout
Orbital-dependent density functionals: Theory and applications
2008
Orbital-free bond breaking via machine learning
2013
High-harmonic spectroscopy of transient two-center interference calculated with time-dependent density-functional theory
2019 StandoutNobel
Software update: The ORCA program system—Version 5.0
2022 Standout
Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems
2013
2013 Standout
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
2018 Standout
Attosecond photoionization dynamics in the vicinity of the Cooper minima in argon
2021 StandoutNobel
Works of N. Helbig being referenced
First-Principles Approach to Noncollinear Magnetism: Towards Spin Dynamics
2007
Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations
2011
Exchange-energy functionals for finite two-dimensional systems
2007
Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory
2010
Optimized effective potential method in current-spin-density-functional theory
2006
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
2015
Exchange-correlation orbital functionals in current-density functional theory: Application to a quantum dot in magnetic fields
2008
Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us
2011
Physical meaning of the natural orbitals: Analysis of exactly solvable models
2010
Density functional theory beyond the linear regime: Validating an adiabatic local density approximation
2011
Discontinuity of the chemical potential in reduced-density-matrix-functional theory
2007
Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems
2009