Citation Impact
Citing Papers
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
Using Raman spectroscopy to characterize biological materials
2016 Standout
Understanding photosynthetic light-harvesting: a bottom up theoretical approach
2013
Condensed Astatine: Monatomic and Metallic
2013 Nobel
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
2021 Standout
Encyclopedia of Analytical Chemistry
2006 Standout
Effect of plasma-core-induced self-guiding on phase matching of high-order harmonic generation in gases
2019 StandoutNobel
Photothermal therapy and photoacoustic imaging via nanotheranostics in fighting cancer
2018 Standout
Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well-Defined Initial State
2017
Reconstruction of Nanoscale Near Fields by Attosecond Streaking
2016 StandoutNobel
Ab Initio Wave Function-Based Determination of Element Specific Shifts for the Efficient Calculation of X-ray Absorption Spectra of Main Group Elements and First Row Transition Metals
2018
Tensor Decomposition for Signal Processing and Machine Learning
2017 Standout
Roadmap on ultrafast optics
2016 StandoutNobel
Performance of the Density Functional Theory/Multireference Configuration Interaction Method on Electronic Excitation of Extended π-Systems
2008
The ORCA quantum chemistry program package
2020 Standout
Recent Advances in Raman Analysis of Plants: Alkaloids, Carotenoids, and Polyacetylenes
2012
A toolchain for the automatic generation of computer codes for correlated wavefunction calculations
2017
Probing the interplay between geometric and electronic-structure features via high-harmonic spectroscopy
2019 StandoutNobel
Software update: the ORCA program system, version 4.0
2017 Standout
Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems
2018
Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis
2015
Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods
2020
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer
2018 Standout
Near-PHz-bandwidth, phase-stable continua generated from a Yb:YAG thin-disk amplifier
2016 StandoutNobel
Computing the Gradient in Optimization Algorithms for the CP Decomposition in Constant Memory through Tensor Blocking
2015
Challenges for Density Functional Theory
2011 Standout
Time-resolved molecular imaging
2016 StandoutNobel
Direct regenerative amplification of femtosecond pulses to the multimillijoule level
2016 StandoutNobel
A Brief History of OLEDs—Emitter Development and Industry Milestones
2021 Standout
Attosecond streaking metrology with isolated nanotargets
2017 StandoutNobel
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
2018
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies
2017
NWChem: Past, present, and future
2022
The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes
2020
Atomic-scale diffractive imaging of sub-cycle electron dynamics in condensed matter
2015 StandoutNobel
Robust excitons inhabit soft supramolecular nanotubes
2014 StandoutNobel
Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems
2017
Standard Practices of Reticular Chemistry
2020 StandoutNobel
Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices
2015 StandoutNobel
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
2018
The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystals
2017
A pair natural orbital based implementation of ADC(2)-x: Perspectives and challenges for response methods for singly and doubly excited states in large molecules
2014
What will it take to observe processes in 'real time'?
2014
An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
2018
Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application
2019
TD-DFT benchmarks: A review
2013
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Attosecond optics and technology: progress to date and future prospects [Invited]
2016
The Halogen Bond
2016 Standout
A near-linear scaling equation of motion coupled cluster method for ionized states
2018
Electron Delocalization Range in Atoms and on Molecular Surfaces
2016
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
Kramers–Kronig relation in attosecond transient absorption spectroscopy
2022 StandoutNobel
Imaging electronic quantum motion with light
2012
Spin-flip methods in quantum chemistry
2020
Revising Intramolecular Photoinduced Electron Transfer (PET) from First-Principles
2016
Recent Advances in Solid‐State Lighting Devices Using Transition Metal Complexes Exhibiting Thermally Activated Delayed Fluorescent Emission Mechanism
2020
Scale-invariant nonlinear optics in gases
2016 StandoutNobel
Real-Time Probing of Electron Dynamics Using Attosecond Time-Resolved Spectroscopy
2016
Works of Michael Wormit being referenced
Quantum chemical insights in energy dissipation and carotenoid radical cation formation in light harvesting complexes
2007
Evidence for Low‐Temperature Melting of Mercury owing to Relativity
2013
Excitation energy transfer and carotenoid radical cation formation in light harvesting complexes — A theoretical perspective
2009
Unrestricted algebraic diagrammatic construction scheme of second order for the calculation of excited states of medium-sized and large molecules
2009
New tools for the systematic analysis and visualization of electronic excitations. II. Applications
2014
Nature of the lowest excited states of neutral polyenyl radicals and polyene radical cations
2009
Calculating core‐level excitations and x‐ray absorption spectra of medium‐sized closed‐shell molecules with the algebraic‐diagrammatic construction scheme for the polarization propagator
2014
Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
2014
Quantum chemical excited state calculations on pigment–protein complexes require thorough geometry re-optimization of experimental crystal structures
2009
Ultrafast charge separation driven by differential particle and hole mobilities
2011
New implementation of high‐level correlated methods using a general block tensor library for high‐performance electronic structure calculations
2013
How much double excitation character do the lowest excited states of linear polyenes have?
2006
New tools for the systematic analysis and visualization of electronic excitations. I. Formalism
2014
The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states
2014
Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: Two-photon absorption spectra
2012
The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking
2014
Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz
2015
The low-lying excited states of neutral polyacenes and their radical cations: a quantum chemical study employing the algebraic diagrammatic construction scheme of second order
2010
Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator
2013