Eberhard K. U. Gross

Eberhard K. U. Gross's AcademicInfluence.com Rankings

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Eberhard K. U. Gross's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Density-Functional Theory for Time-Dependent Systems (1984) (4961)
Density-Functional Theory (1990) (1876)
Time-dependent density functional theory. (2004) (1572)
Density Functional Theory: An Approach to the Quantum Many-Body Problem (1991) (1141)
Reproducibility in density functional theory calculations of solids (2016) (976)
Time-dependent density functional theory: past, present, and future. (2004) (733)
octopus: a tool for the application of time‐dependent density functional theory (2006) (715)
DENSITY FUNCTIONAL THEORY OF TIME-DEPENDENT PHENOMENA (1996) (568)
Fundamentals of time-dependent density functional theory (2012) (537)
Basics of TDDFT (2006) (408)
Understanding band gaps of solids in generalized Kohn–Sham theory (2016) (345)
How to represent crystal structures for machine learning: Towards fast prediction of electronic properties (2013) (297)
Quantum optimal control theory (2007) (296)
Exact coulomb cutoff technique for supercell calculations (2006) (272)
Exact factorization of the time-dependent electron-nuclear wave function. (2010) (267)
Time-dependent quantum transport: A practical scheme using density functional theory (2005) (249)
Multicomponent density-functional theory for electrons and nuclei. (2001) (187)
Ab-initio theory of superconductivity - I: Density functional formalism and approximate functionals (2004) (186)
Density Functional Theory for Superconductors (1988) (181)
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction. (2012) (174)
Many-Particle Theory, (1991) (167)
Ab initio theory of superconductivity. II. Application to elemental metals (2004) (156)
High temperature superconductivity in sulfur and selenium hydrides at high pressure (2015) (154)
Ab initio description of high-temperature superconductivity in dense molecular hydrogen. (2008) (149)
Excitations in time-dependent density-functional theory. (2002) (137)
Laser-induced demagnetization at ultrashort time scales: predictions of TDDFT. (2015) (136)
Bootstrap approximation for the exchange-correlation kernel of time-dependent density-functional theory. (2011) (123)
Superconductivity in lithium, potassium, and aluminum under extreme pressure: a first-principles study. (2005) (111)
Time-dependent electron localization function (2004) (105)
Density-functional theory using an optimized exchange-correlation potential (1995) (105)
Reduced density matrix functional for many-electron systems (2008) (105)
Superconducting properties of MgB2 from first principles. (2004) (101)
Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence. (2017) (100)
Adiabatic approximation in nonperturbative time-dependent density-functional theory. (2008) (99)
Density-Functional Approach to Atoms in Strong Laser Pulses (1995) (95)
Dynamical Coulomb blockade and the derivative discontinuity of time-dependent density functional theory. (2009) (95)
Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods. (2015) (92)
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure (2015) (92)
Toward the description of van der Waals interactions within density functional theory (1999) (87)
Time-dependent approach to electron pumping in open quantum systems (2007) (84)
Spurious interactions, and their correction, in the ensemble-Kohn-Sham scheme for excited States. (2002) (84)
Time-Dependent Density Functional Theory beyond Linear Response: An Exchange-Correlation Potential with Memory (1997) (82)
Even-harmonic generation due to beyond-Born-Oppenheimer dynamics. (2001) (81)
Optimal control of quantum rings by terahertz laser pulses. (2006) (81)
Strong-field ionization dynamics of a model H 2 molecule (2002) (79)
Electron correlation energies from scaled exchange-correlation kernels: Importance of spatial versus temporal nonlocality (2000) (77)
The exact forces on classical nuclei in non-adiabatic charge transfer. (2014) (76)
Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes. (2015) (76)
Thermal conductivity in PbTe from first principles (2014) (74)
Dynamical steps that bridge piecewise adiabatic shapes in the exact time-dependent potential energy surface. (2013) (74)
First-principles approach to noncollinear magnetism: towards spin dynamics. (2005) (72)
Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation? (2014) (72)
Spin-Density Functionals from Current-Density Functional Theory and Vice Versa: A Road towards New Approximations (1997) (71)
Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory (2012) (71)
Molecular excitation energies from time-dependent density functional theory (2000) (68)
Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation (2014) (67)
Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas (2008) (65)
Discontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density-functional theory (2011) (65)
Vibrational properties of MnO and NiO from DFT +U-based density functional perturbation theory (2011) (64)
Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation. (2011) (63)
Optimal control of time-dependent targets (2004) (61)
Exact conditions in finite-temperature density-functional theory. (2010) (55)
Controlling the dynamics of many-electron systems from first principles: a combination of optimal control and time-dependent density-functional theory. (2010) (54)
Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function. (2015) (53)
The optimized effective potential method of density functional theory: Applications to atomic and molecular systems (1997) (51)
Anisotropic gap of superconducting CaC6 : A first-principles density functional calculation (2007) (51)
Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion (2014) (51)
Ultrafast laser induced local magnetization dynamics in Heusler compounds (2016) (51)
Optimized Effective Potential for Atoms and Molecules (1997) (50)
A guided tour of time-dependent density functional theory (1998) (49)
Gradient expansion of the Coulomb exchange energy (1981) (49)
Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model (2011) (49)
The optimal one dimensional periodic table: a modified Pettifor chemical scale from data mining (2016) (48)
Thomas-Fermi approach to diatomic systems. I. Solution of the Thomas-Fermi and Thomas-Fermi-Dirac-Weizsäcker equations (1979) (47)
Classical nuclear motion coupled to electronic non-adiabatic transitions. (2014) (47)
Electron-phonon interaction and superconductivity in metallic molecular hydrogen. II. Superconductivity under pressure (2010) (46)
Transverse spin-gradient functional for noncollinear spin-density-functional theory. (2012) (45)
Thermal Density Functional Theory in Context (2013) (45)
Spectral density and metal-insulator phase transition in Mott insulators within reduced density matrix functional theory. (2012) (45)
One-body reduced density matrix functionals for the homogeneous electron gas (2006) (45)
Discontinuity of the chemical potential in reduced-density-matrix-functional theory (2005) (45)
Two-band superconductivity in Pb from ab initio calculations (2007) (44)
Molecular geometric phase from the exact electron-nuclear factorization (2015) (43)
Ab initio Eliashberg Theory: Making Genuine Predictions of Superconducting Features (2018) (43)
Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processes (2013) (42)
4. Time-Dependent Density Functional Theory (2003) (39)
Tailoring laser pulses with spectral and fluence constraints using optimal control theory (2005) (36)
Electron-phonon interaction and superconductivity in metallic molecular hydrogen. I. Electronic and dynamical properties under pressure (2010) (36)
Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: a systematic study (2017) (36)
Ultrafast demagnetization in bulk versus thin films: an ab initio study (2016) (35)
The 2021 room-temperature superconductivity roadmap (2021) (35)
Electronic Flux Density beyond the Born-Oppenheimer Approximation. (2016) (35)
Time-dependent natural orbitals and occupation numbers (2008) (35)
An efficient algorithm for time propagation as applied to linearized augmented plane wave method (2016) (35)
Electronic structure via potential functional approximations. (2011) (34)
Correlation effects in bistability at the nanoscale: Steady state and beyond (2011) (33)
Response to "Comment on 'Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction"' [J. Chem. Phys. 139, 087101 (2013)]. (2013) (33)
On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation (2016) (33)
Local Density Approximation for Superconductors (1999) (32)
Laser-induced electron localization in H₂⁺: mixed quantum-classical dynamics based on the exact time-dependent potential energy surface. (2015) (32)
Exact Factorization-Based Density Functional Theory of Electrons and Nuclei. (2016) (32)
Spin‐multiplet energies from time‐dependent density functional theory (1996) (32)
Quantum Optimal Control (2012) (31)
Open shells in reduced-density-matrix-functional theory (2005) (30)
Ab initio prediction of pressure-induced superconductivity in potassium (2006) (30)
How is the derivative discontinuity related to steps in the exact Kohn-Sham potential? (2017) (30)
Time-dependent electron localization functions for coupled nuclear-electronic motion. (2004) (30)
Ensemble-Density functional theory for excited states (1990) (29)
Introduction to TDDFT (2012) (29)
Exact Single-Electron Approach to the Dynamics of Molecules in Strong Laser Fields. (2017) (29)
A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems. (2008) (28)
Accurate solution of the Thomas-Fermi-Dirac-Weizsäcker variational equations for the case of neutral atoms and positive ions (1982) (28)
An exact factorization perspective on quantum interferences in nonadiabatic dynamics. (2016) (28)
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme (2014) (28)
Electronic Schr¨ odinger equation with nonclassical nuclei (2014) (28)
Current density functional theory of spontaneously magnetised solids (1997) (28)
Semiclassical analysis of the electron‐nuclear coupling in electronic non‐adiabatic processes (2015) (28)
Orbital magnetism in the density functional theory of superconductors (1989) (27)
Reduced Density Matrix Functional Theory at Finite Temperature: Theoretical Foundations (2012) (27)
How Interatomic Steps in the Exact Kohn-Sham Potential Relate to Derivative Discontinuities of the Energy. (2017) (27)
Optimal laser control of double quantum dots (2007) (27)
Superconducting properties of MgB 2 from first principles (2007) (27)
Optimal control of laser-induced spin–orbit mediated ultrafast demagnetization (2015) (27)
The role of bound states in time-dependent quantum transport (2008) (27)
Optical response of extended systems using time-dependent density functional theory. (2014) (26)
On the mechanism of strong-field double photoionization in the helium atom (2000) (26)
Local measurement of the Eliashberg function of Pb islands: enhancement of electron-phonon coupling by quantum well states. (2014) (26)
Bound states in time-dependent quantum transport: oscillations and memory effects in current and density. (2008) (26)
Asymptotic Properties of the Optimized Effective Potential (1998) (26)
Superconducting pairing mediated by spin fluctuations from first principles (2014) (25)
Paramagnons in FeSe close to a magnetic quantum phase transition: Ab initio study (2012) (25)
Competing Spin Transfer and Dissipation at Co/Cu(001) Interfaces on Femtosecond Timescales. (2018) (25)
Resonant inelastic soft x-ray scattering of Be chalcogenides (2006) (25)
Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations (2011) (24)
Magnon spectrum of transition-metal oxides: Calculations including long-range magnetic interactions using the LSDA + U method (2011) (23)
Femtosecond laser pulse shaping for enhanced ionization (2009) (23)
Exchange-energy functionals for finite two-dimensional systems (2007) (22)
Potential functionals versus density functionals (2013) (22)
Ten topical questions in time-dependent density functional theory (2002) (22)
Density‐functional theory of the superconducting state (1991) (22)
Time-dependent transport phenomena (2006) (22)
Ab-initio theory of Iron based superconductors (2014) (22)
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems (2009) (22)
The role of Coulomb interaction in the superconducting properties of CaC6 and H under pressure (2008) (21)
Asymptotic analysis of the Berry curvature in the E⊗e Jahn-Teller model (2017) (21)
Optimal control of strong-field ionization with time-dependent density-functional theory (2013) (20)
Thomas-Fermi approach to diatomic systems. II. Correlation diagrams for N-N and Ne-Ne (1979) (20)
Multicomponent density-functional theory for time-dependent systems (2007) (20)
Optimization schemes for selective molecular cleavage with tailored ultrashort laser pulses (2011) (20)
Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF. (2017) (20)
Ensemble-Hartree-Fock scheme for excited states. The optimized effective potential method (2002) (19)
Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms (2013) (19)
Discrete peaks in above-threshold double-ionization spectra (2001) (19)
Correlation energy of finite two-dimensional systems: Toward nonempirical and universal modeling (2008) (19)
Electronic, vibrational, and superconducting properties of CaBeSi : First-principles calculations (2009) (19)
Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory (2007) (18)
Time-dependent variational approach to molecules in strong laser fields (2004) (18)
Phononic self-energy effects and superconductivity in CaC6 (2011) (18)
Source-Free Exchange-Correlation Magnetic Fields in Density Functional Theory. (2017) (18)
Substrate-Controlled Ultrafast Spin Injection and Demagnetization (2018) (18)
Time-Dependent Optimized Effective Potential in the Linear Response Regime (1998) (17)
Exchange-correlation orbital functionals in current-density functional theory: Application to a quantum dot in magnetic fields (2006) (17)
Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions. (2020) (17)
Electron-nuclear wave-packet dynamics through a conical intersection. (2017) (17)
Strong-Field Double Ionization of Helium: A Density-Functional Perspective (1999) (17)
Approximate relativistic optimized potential method (1998) (17)
Surface hopping in laser-driven molecular dynamics (2016) (16)
First-Principles Calculation of the Real-Space Order Parameter and Condensation Energy Density in Phonon-Mediated Superconductors. (2015) (16)
Adiabatic Connection and the Kohn-Sham Variety of Potential-Functional Theory. (2009) (16)
Relativistic framework for microscopic theories of superconductivity. I. The Dirac equation for superconductors (1999) (16)
Multiplicity of solutions to G W -type approximations (2012) (16)
Ab initio theory of superconductivity in a magnetic field. I. Spin density functional theory for superconductors and Eliashberg equations (2015) (16)
Phase-space analysis of double ionization. (2001) (16)
Optimized effective potential method in current-spin-density-functional theory (2006) (15)
Spectrum for nonmagnetic mott insulators from power functional within reduced density matrix functional theory. (2015) (15)
Theoretical investigation of optical conductivity in Ba(Fe1−xCox)2As2 (2010) (15)
Conventional Quantum Chemical Correlation Energy versus Density-Functional Correlation Energy (1995) (15)
Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer (2012) (14)
Generation of magnetic skyrmions by focused vortex laser pulses (2020) (14)
Ab initiotheory of superconductivity in a magnetic field. II. Numerical solution (2015) (14)
Measuring the kernel of time-dependent density functional theory with x-ray absorption spectroscopy of transition metals. (2005) (14)
Ultrafast dynamics with the exact factorization (2021) (14)
From Kohn–Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential (2020) (14)
Theory of Dichroism in the Electromagnetic Response of Superconductors (1997) (14)
Multiband superconductivity in Pb, H under pressure and CaBeSi from ab initio calculations (2009) (13)
Ionization potentials and electron affinities from reduced-density-matrix functional theory (2012) (13)
Relativistic gradient expansion of the kinetic energy density (1981) (12)
Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals (2017) (12)
Optimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory (2013) (12)
Density Functional Approach to Molecular Structure and Atomic Scattering (1983) (12)
Doping induced metal-insulator phase transition in NiO—a reduced density matrix functional theory perspective (2012) (12)
TDDFT and quantum-classical dynamics : a universal tool describing the dynamics of matter. (2018) (12)
Relativistic theory of superconductivity (1995) (12)
Thomas-Fermi potentials for quasimolecular collision processes (1976) (12)
Minimization procedure in reduced density matrix functional theory by means of an effective noninteracting system (2012) (12)
XMCD Analysis Beyond Standard Procedures (2007) (11)
First-principles study of rare-earth-doped superconducting CaFe 2 As 2 (2012) (11)
Density functional theory for superconductors: DFT for Superconductors (2004) (11)
Almost exact exchange at almost no computational cost in electronic structure (2015) (11)
Excitons in Organics Using Time-Dependent Density Functional Theory: PPV, Pentacene, and Picene. (2015) (11)
Electronic exchange in quantum rings : Beyond the local-density approximation (2009) (11)
Extended Thomas-Fermi approach to diatomic systems☆ (1979) (10)
A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory (2000) (10)
Analysis of dichroism in the electromagnetic response of superconductors (1998) (10)
Electromagnetic potential in Thomas-Fermi-Dirac atoms (1979) (10)
Topics in Current Chemistry (1996) (10)
Electron localization function for two-dimensional systems (2008) (10)
Electron-nuclear entanglement in the time-dependent molecular wavefunction (2019) (10)
Swift thermal steering of domain walls in ferromagnetic MnBi stripes (2016) (9)
Functionals of fractional form in variational scattering theory (1982) (9)
Density functional theory of normal and superconducting electron liquids: explicit functionals via the gradient expansion (1994) (9)
Acceleration of quantum optimal control theory algorithms with mixing strategies. (2009) (9)
Time-Dependent Transport Through Single Molecules : Nonequilibrium Green’s Functions (2006) (9)
Reduced density matrix functional theory at finite temperature. II. Application to the electron gas: Exchange only (2012) (9)
On the degeneracy of atomic states within exact-exchange (spin-) density functional theory. (2006) (9)
Effect of discontinuities in Kohn-Sham-based chemical reactivity theory. (2012) (9)
Solution of the Thomas-Fermi equation for triatomic systems (1978) (8)
Static and Time-Dependent Many-Body Effects via Density-Functional Theory (2002) (8)
Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem. (2007) (8)
Multicomponent Density-Functional Theory (2006) (8)
IR and NMR spectroscopic correlation of enterobactin by DFT. (2018) (8)
Double-pole approximation in time-dependent density functional theory (2005) (8)
Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas (2017) (8)
Exact factorization-based density functional theory of electron-phonon systems (2019) (8)
Real-time switching between multiple steady-states in quantum transport (2010) (8)
Optimal control of time-dependent targets (9 pages) (2005) (7)
Real-space anisotropy of the superconducting gap in the charge-density wave material 2H-NbSe2 (2022) (7)
Density Functional Approach to Time-Dependent and to Relativistic Systems (1985) (7)
Frequency‐dependent linear response of superconducting systems (1995) (7)
Multi-state impact parameter approximation for many particle excitations in atomic collisions; Total cross sections for Na-Ne and N-Ne (1978) (7)
Magnetism in CeFeAsO 1 − x F x and LaFeAsO 1 − x F x from first principles (2009) (6)
Density Functional Theory: The Modern Treatment of Electron Correlations (1994) (6)
Static and dynamical susceptibility of LaO1-xFxFeAs (2010) (6)
Extending Solid-State Calculations to Ultra-Long-Range Length Scales. (2020) (6)
Noncollinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory (2009) (5)
Molecules and clusters in strong laser fields (2007) (5)
Model Hamiltonian for strongly correlated systems: Systematic, self-consistent, and unique construction (2018) (5)
Exact Factorization of the Electron–Nuclear Wave Function: Theory and Applications (2020) (5)
Electronic non-adiabatic states (2005) (5)
Thomas-Fermi approach to diatomic quasimolecules: Correlation diagrams for neutral, heteronuclear systems (1980) (5)
Fock-Space Embedding Theory: Application to Strongly Correlated Topological Phases. (2019) (5)
Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms (2020) (5)
Density functional theory of magnetic dipolar interactions (2020) (5)
Approximate formula for the macroscopic polarization including quantum fluctuations (2017) (5)
Density functional theory for triplet superconductors (1997) (4)
Laser induced ultrafast demagnetization: an \emph{ab-initio} perspective (2014) (4)
Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation (2019) (4)
Ab‐Initio Real‐Time Magnon Dynamics in Ferromagnetic and Ferrimagnetic Systems (2020) (4)
Towards time-dependent density-functional theory for molecules in strong laser pulses (2003) (4)
Orbital Functionals in Static and Time-Dependent Density Functional Theory (1999) (4)
The Effect of the Electron-Electron Interaction in Above-Threshold Double Ionization (2002) (3)
Time-Dependent Density Functional Theory for Spin Dynamics (2020) (3)
Spectrum of extended systems from Reduced Density Matrix Functional Theory (2009) (3)
Theory of relativistic effects in superconductors (1999) (3)
How to interpret the spectral density of the Keldysh nonequilibrium Green's function (2014) (3)
Complete description of the magnetic ground state in spinel vanadates (2019) (3)
Back to the Ground-State: Electron Gas (2006) (3)
Publisher's Note: Ab initio Description of High-Temperature Superconductivity in Dense Molecular Hydrogen [Phys. Rev. Lett. 100, 257001 (2008)] (2008) (3)
Solution of the extended Thomas-Fermi model for triatomic molecules (1981) (3)
Comment on "Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme". (2016) (2)
Energy, Momentum, and Angular Momentum Transfer between Electrons and Nuclei. (2019) (2)
High temperature superconductivity in sulfur and selenium hydrides at high pressure (2016) (2)
42214 layered Fe-based superconductors: An ab initio study of their structural, magnetic, and electronic properties (2016) (2)
Explicit Functionals II: The Local Density Approximation and Beyond (1990) (2)
Ab initio calculation of a Pb single layer on a Si substrate: two-dimensionality and superconductivity (2015) (2)
TDDFT and Quantum-Classical Dynamics: A Universal Tool Describing the Dynamics of Matter (2020) (2)
Coherent quantum switch driven by optimized laser pulses (2008) (2)
Controlling observables in time-dependent quantum transport (2014) (1)
Calculating the critical temperature of superconductors from first principles (2001) (1)
The Kohn-Sham Scheme (1990) (1)
Experimental and theoretical structural/spectroscopical correlation of enterobactin and catecholamide (2018) (1)
Magnetic properties of LaO$_{1-x}$F$_x$FeAs (2008) (1)
Ultrafast Local Magnetization and Demagnetization in Heusler Alloys (2016) (1)
Ab-initio Computation of Superconducting Properties of Elemental Superconductors and MgB2 (2005) (1)
Almost Exact Exchange At Almost No Cost (2014) (1)
Accurate Formula for the Macroscopic Polarization of Strongly Correlated Materials. (2018) (1)
Ab initio study of doping effects in the 42214 compounds: A new family of layered iron-based superconductors (2017) (1)
Exact Electronic Potentials in Coupled Electron-Ion Dynamics (2013) (1)
Density Functional Approach to the Relativistic Many Body Problem (1983) (1)
Explicit Functionals I: Kinetic and Exchange Energy Functionals Derived from the One-Particle Density Matrix (1990) (1)
Optimized Effective Potential Method for Non-Collinear Magnetism (2005) (1)
Transport properties of chrysazine-type molecules (2010) (1)
Optimal control of charge transfer (2006) (1)
Direct evaluation of the isotope effect within the framework of density functional theory for superconductors (2019) (1)
Geometric energy transfer in two-component systems (2021) (1)
Virial theorem and exact properties of density functionals for periodic systems (2014) (1)
Many-Body Perturbation Theory (1990) (1)
Orbital Functionals in Current-Spin-Density-Functional Theory (2006) (1)
Electronic exchange in quantum rings (2008) (0)
Molecular dissociation in few-cycle laser pulses: From attosecond to femtosecond pulse duration (2019) (0)
Abstract Submitted for the MAR12 Meeting of The American Physical Society Fe Based Superconductors from first Principles FRANK (2011) (0)
Rebuttal to the "Comment on Electromagnetic potential in Thomas-Fermi-Dirac atoms" (1981) (0)
Self-Consistent Random Phase Approximation (2012) (0)
Fe b 20 05 Electronic non-adiabatic states (2008) (0)
6 Multicomponent Density-Functional Theory (2006) (0)
Discontinuity of the chemical potential in RDMFT for open-shell systems (2008) (0)
Coupled Bogoliubov equations for electrons and phonons (2022) (0)
Gap anisotropy in density functional theory of the superconducting state (2006) (0)
Ten topical questions in time dependent functional theory (2002) (0)
Coupled Kohn-Sham equations for electrons and phonons (2018) (0)
Recent developments in time-dependent density-functional theory within and beyond linear response (2013) (0)
Phonons in strongly correlated materials from Hubbard-corrected density-functional-perturbation theory (2009) (0)
HIGHLIGHT OF THE MONTH : ” Octopus : a tool for the application of time-dependent density functional theory ” octopus : a tool for the application of time-dependent density functional theory (0)
New gradient functional for SDFT derived from spin spirals in the uniform electron gas (2012) (0)
Exact factorization of the time-dependent electron-nuclear wavefunction: Time-dependent potential energy surface (2012) (0)
Controlling observables in normal, hybrid and Josephson junctions (2018) (0)
Studies of Ultrafast Demagnetization in Ferromagnetic Metal Alloys using TDDFT (2016) (0)
Bootstrap kernel for organic low dimensional systems; PPV, pentacene and picene (2013) (0)
Exchange-correlation energy functionals for electrons in two dimensions. (2010) (0)
Towards a Time-Dependent Density-Functional Description of Multiple Multiphoton-Ionization of Helium in Strong Laser Fields (1999) (0)
Electronic Structure : Density Functional Theory (2003) (0)
First-principles study of superconducting Rare-earth doped CaFe2As2 (2014) (0)
Ultrafast laser-induced demagnetization of ferromagnetic solids (2015) (0)
Tailoring High-Order Harmonics: A Computational Approach Based on Time-Dependent Density-Functional Theory (2009) (0)
Chapter 4 Introduction to TDDFT (2011) (0)
0 60 50 32 v 1 3 M ay 2 00 6 On the degeneracy of atomic states within exact-exchange ( spin-) density functional theory (0)
How Derivative Discontinuities in the Energy Yield Interatomic Steps in the Exact Kohn-Sham Potential of Density-Functional Theory (2018) (0)
Optimizing the Cooper pair splitting efficiency in a Y-shaped junction (2014) (0)
Ensemble Hartree-Fock and Kohn-Sham Schemes for Excited States (2002) (0)
Magnetism in CeFeAsO1-xFx and LaFeAsO1-xFx from first principles (2009) (0)
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme (2015) (0)
Time-Dependent Transport Phenomena: Bound-State Oscillations and Pumping (2008) (0)
Unraveling the quantum nature of ultrafast spin injection at Co/Cu(001) interfaces (2018) (0)
Fe Based Superconductors from first Principles (2012) (0)
Density Functional Theory for Superconductors: new functionals and applications (2015) (0)
Electron tunneling - the influence of interaction (2012) (0)
Computational search for rare-earth free hard-magnetic materials (2015) (0)
Exact-exchange density-functional calculations for large gap materials: A major step forward? (2005) (0)
I-V characteristics of Chrysazine-type molecules (2004) (0)
Thermal Anharmonic Effects in PbTe from First Principles (2021) (0)
Why magnetism in CeO$_{1-x}$F$_x$FeAs and LaO$_{1-x}$F$_x$FeAs is different (2009) (0)
APPLIED 10 , 044065 ( 2018 ) Substrate-Controlled Ultrafast Spin Injection and Demagnetization (2018) (0)
Ultra Long-Range Ab Initio Calculations (2018) (0)
A single-electron approach for many-electron dynamics in high-order harmonic generation (2016) (0)
Fe b 20 09 Magnetic properties of LaO (2009) (0)
FT-RDMFT: exchange only (2012) (0)
Superconductivity and Magnetism from First Principles (2015) (0)
Dynamical Born effective charges (2022) (0)
An efficient algorithm for time propagation within time-dependent density functional theory (2014) (0)
Static and dynamical susceptibility of LaO (2010) (0)
Perturbation Theory of a Relativistic Particle in Central Fields (1983) (0)
Simulating Ultrafast Switching of Magnetic Order using TDDFT (2018) (0)
The fundamental gap in reduced density matrix functional theory (2005) (0)
Ab-initio description of all optical switching (2018) (0)
How to predict the critical temperature of superconductors : A density functional perspective (2007) (0)
Theoretical approach to control tetragonal distortion in Heuslers for large magnetocrystalline anisotropy (2018) (0)
Magnetic Phenomena in Solids (2004) (0)
Real-space anisotropy of the superconducting gap in the charge-density wave material 2H-NbSe2 (2022) (0)
Recovering the degeneracy for ground states of open-shell atoms by going beyond the exact-exchange approximation (2007) (0)
Giant spin zero-point fluctuations in iron superconductors (2012) (0)
1 Introduction to TDDFT (2011) (0)
Mixed Quantum-Classical Dynamics Methods for Strong-Field Processes: Multiple-trajectory Ehrenfest dynamics $+$ decoherence terms (2016) (0)
Non-steady state in quantum transport (2012) (0)
How Can the Properties of Materials Be Reliably Predicted Using Only Theoretical Tools (2017) (0)
Basic Formalism for Stationary Non-Relativistic Systems (1990) (0)
Semiclassical approach to the exchange energy from potential functional theory (2014) (0)
Exact conditions and scaling relations in finite temperature density functional theory (2010) (0)
Time-dependent electron localisation function : A tool to visualise and analyse ultrafast processes (2007) (0)
Classical nuclear dynamics on a single time-dependent potential in electronic non-adiabatic processes (2015) (0)
4 Time-DependentDensity Functional Theory (2003) (0)
Towards the ab-initio description of photo-induced processes (2012) (0)
The electron gas in TDDFT and SCDFT (2005) (0)
Optimal Control of Magnetization Dynamics in Ferromagnetic Materials using TDDFT (2015) (0)
Exact factorization of the full electron-nuclear wavefunction: A quantum-classical study (2012) (0)
HIGHLIGHT OF THE MONTH : ” Density functional theory for superconductors ” Density functional theory for superconductors (2006) (0)
Ju l 2 00 6 Time dependent transport phenomena (2013) (0)
Simulations of all optical switching using TDDFT (2019) (0)
1 Back to the ground-state : electron gas (2006) (0)
Exact factorization of the electron-nuclear wave function: General theory and applications (2014) (0)
Elementary excitations and elusive superconductivity in palladium hydride -- \textit{ab initio} perspective. I. Paramagnons (2012) (0)
Steps in the Exact Kohn-Sham Potential of Ensemble Density-functional Theory for Excited States and Their Relation to the Derivative Discontinuity (2018) (0)
Description of the Electronic Exchange in Quantum Rings (2008) (0)
Non-Empirical Orbital-Free Approximations from Semiclassical Approaches (2013) (0)
Fe b 20 09 Multiband superconductivity in Pb , H under pressure and CaBeSi from ab-initio calculations (0)
Applications of the Optimized Effective Potential Method of Density Functional Theory to Atomic and Molecular Systems (1996) (0)
\textbf{Ultrafast Laser-Induced Demagnetization: Identifying the Mechanism with Real-Time TDDFT} (2016) (0)
Ab-initio Charge and Spin Dynamics in Solids using TDDFT (2014) (0)
Steps in the exact time-dependent potential energy surface (2013) (0)
Density functional theory with quantum nuclei (2016) (0)
Non-adiabatic dynamics on a single time-dependent potential energy surface (2018) (0)
D ec 2 00 7 Exchange-energy functionals for finite two-dimensional systems (2018) (0)
TDDFT studies of Spin-Flip and Spin-Current Ultrafast Demagnetization (2017) (0)
Density functional theory of phonon-driven superconductivity (2013) (0)
A demonstration that UO2 is an f-f type Mott-Hubbard insulator (2010) (0)
Optimal Laser-Control of Quantum Rings (2006) (0)
OF THE MONTH octopus : a tool for the application of time-dependent density functional theory (2006) (0)
Density-functional theory of superconductivity (2008) (0)

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