Publications

N. Sobrino, D. Jacob, S. Kurth, Analytic approach to thermoelectric transport in double quantum dots, Phys. Rev. B 111, 115108 (2025)  and  arXiv:cond-mat/2409.17064 

N. Sobrino, D. Jacob, S. Kurth, Fully analytical equation of motion approach for the double quantum dot in the Coulomb blockade regime  Phys. Rev. B 110, 115121 (2024) and arXiv:cond-mat/2406.19357 

N. Sobrino, D. Jacob, S. Kurth, What can lattice DFT teach us about real-space DFT?, J. Chem. Phys. 159, 154110 (2023) and arXiv:cond-mat/2308.01185 

N. Sobrino, R. D'Agosta, S. Kurth, Thermoelectric efficiency in multiterminal quantum thermal machines from steady-state density functional theory, Phys. Rev. B 107, 195116 (2023) and arXiv:cond-mat/2303.01355 

N. Sobrino, D. Jacob, S. Kurth, Level occupation switching with density functiona theory, Phys. Rev. B 106, 195124 (2022) and arXiv:cond-mat/2209.06754 

N. Sobrino, F. Eich, G. Stefanucci, R. D'Agosta, S. Kurth, Thermoelectric transport within density functional theory, Phys. Rev. B 104, 125115 (2021) and arXiv:cond-mat/2107.01940 

D. Jacob, G. Stefanucci, S. Kurth, The Mott metal-insulator transition from steady-state density functional theory, Phys. Rev. Lett. 125, 216401 (2020) and arXiv:cond-mat/2008.02723 

N. Sobrino, S. Kurth, D. Jacob, Exchange-correlation potentials for multi-orbital quantum dots subject to generic density-density interactions and Hund’s rule coupling, Phys. Rev. B 102, 035159 (2020) and arXiv:cond-mat/1905.13070 

N. Sobrino, R. D’Agosta, S. Kurth, Steady-state density functional theory for thermoelectric effects, Phys. Rev. B 100, 195142 (2019) and arXiv:cond-mat/1909.11019 

S. Kurth, D. Jacob, N. Sobrino, G. Stefanucci, Nonequilibrium spectral functions from multiterminal steady-state density functional theory, Phys. Rev. B 100, 085114 (2019) and arXiv:cond-mat/1905.13070 

S. Kurth, G. Stefanucci, Time-dependent i-DFT exchange-correlation potentials with memory: Applications to the out-of-equilibrium Anderson model, Eur. Phys. J. B 91, 118 (2018) and arXiv:cond-mat/1803.03244 

S. Kurth, D. Jacob, Exchange-correlation functionals of i-DFT for asymmetrically coupled leads, Eur. Phys. J. B 91, 101 (2018) and arXiv:cond-mat/1803.06307

D. Jacob, S. Kurth, Many-Body Spectral Functions from Steady State Density Functional Theory, Nano Lett. 18, 2086 (2018) and  arXiv:cond-mat/1801.06383

G. Stefanucci, S. Kurth, AC transport in correlated quantum dots: From Kondo to Coulomb blockade regime, Phys. Rev. B 97, 2455415 (2018) and  arXiv:cond-mat/1710.07259

S. Kurth, G. Stefanucci, Transport through correlated systems with density functional theory, J. Phys.: Condens. Matter 29, 413002 (2017) and arXiv:cond-mat/1706.02753 

S. Kurth, G. Stefanucci, Nonequilibrium Anderson model made simple with density functional theory, Phys. Rev. B 94, 241103(R) (2016) and arXiv:cond-mat/1605.09330 

K. Yang, E. Perfetto, S. Kurth, G. Stefanucci, R. D’Agosta, Density Functional Theory of the Seebeck coefficient in the Coulomb blockade regime, Phys. Rev. B 94, 081410 (2016)  and arXiv:cond-mat/1512.07540

G. Stefanucci and S. Kurth, Steady-State Density Functional Theory for Finite Bias Conductances, Nano Lett. 15, 8020 (2015) and arXiv:cond-mat/1505.07364 

A. Crawford-Uranga, U. De Giovannini, E. Räsänen, M.J.T. Oliveira, D.J. Mowbray, G.M. Nikolopoulos, E.T. Karamatskos, D. Markellos, P. Lambropoulos, S. Kurth, A. Rubio, Time-Dependent Density-Functional Theory of Strong-Field Ionization of Atoms under Soft X-Rays, Phys. Rev. A 90, 033412 (2014) and arXiv.org:atom-phy/1408.6067 

A. Crawford-Uranga, U. De Giovannini, D.J. Mowbray, S. Kurth, A. Rubio, Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene, J. Phys. B: At. Mol. Opt. Phys. 47, 124018 (2014)  and arXiv:atm-clus/1408.6067 

J.I. Fuks, M. Farzanehpour, I.V. Tokatly, H. Appel, S. Kurth, A. Rubio, The time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying non-adiabatic effects, Phys. Rev. A 88, 062512 (2013) and arXiv.org:cond-mat/1312.1667 

G. Stefanucci, S. Kurth, Kondo effect in the Kohn-Sham conductance of multiple levels quantum dots, Phys. Status Solidi B 250, 2378 (2013)  and arXiv:cond-mat/1307.6337 

S. Kurth, G. Stefanucci, Dynamical correction to linear Kohn-Sham conductances from static density functional theory, Phys. Rev. Lett. 111, 030601 (2013) and arXiv:cond-mat/1302.4362

G. Xianlong, A-Hai Chen, I.V. Tokatly, S. Kurth Lattice density functional theory at finite temperature with strongly density-dependent exchange-correlation potentials, Phys. Rev. B 86, 235139 (2012) and arXiv.org:cond-mat/1209.3145 

L. Song, L. Balicas, D.J. Mowbray, R.B. Capaz, K. Storr, L. Ci, D. Jariwala, S. Kurth, S.G. Louie, A. Rubio, and P.M. Ajayan, Anomalous Insulator Metal Transition in BN-C Atomic Layers, Phys. Rev. B 86, 075429 (2012)  and arXiv:cond-mat/1105.1876 

E. Khosravi, A.-M. Uimonen, A. Stan, G. Stefanucci, S. Kurth, R. van Leeuwen, E. K. U. Gross, Correlation effects in bistability at the nanoscale: steady state and beyond,  Phys. Rev. B 85, 075103 (2012) and arXiv:cond-mat/1112.2871

S. Kurth, Electronic Transport, in Fundamentals of Time-Dependent Density Functional Theory, M.A.L Marques, N. Maitra, F. Nogueira, E.K.U. Gross, and A. Rubio (eds.), Lecture Notes in Physics, Vol. 837 (Springer, Berlin, 2012)

A.-M. Uimonen, E. Khosravi, A. Stan, G. Stefanucci, S. Kurth, R. van Leeuwen, E. K. U. Gross, Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model, Phys. Rev. B 84, 115103 (2011) and arXiv.org:cond-mat/1107.0162 

G. Stefanucci, S. Kurth, Towards a description of the Kondo effect using time-dependent density functional theory, Phys. Rev. Lett. 107, 216401 (2011)  and arXiv:cond-mat/1106.3728 

S. Kurth, G. Stefanucci, Time-dependent bond-current functional theory for lattice Hamiltonians: fundamental theorem and application to electron transport, Chem. Phys. 391, 164 (2011) and arXiv:cond-mat/1012.4296

A.-M. Uimonen, E. Khosravi, G. Stefanucci, S. Kurth, R. van Leeuwen, E.K.U. Gross, Real-time switching between multiple steady-states in quantum transport, J. Phys.: Conf. Ser. 220, 012018 (2010) and arXiv.org:cond-mat/1106.5631 

S. Kurth, G. Stefanucci, E. Khosravi, C. Verdozzi, E.K.U. Gross, Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory, Phys. Rev. Lett. 104, 236801 (2010)  and arXiv:cond-mat/0911.3870 

F.G. Eich, S. Kurth, C.R. Proetto, S. Sharma, E.K.U. Gross, Non-collinear spin-spiral phase for the uniform electron gas within Reduced-Density-Matrix-Functional Theory, Phys. Rev. B 81, 024430 (2010) and arXiv:cond-mat/0910.0534

S. Kurth, F.G. Eich, Overhauser’s spin-density wave in exact-exchange spin density functional theory, Phys. Rev. B 80, 125120 (2009) and arXiv.org:cond-mat/0906.3721 

S. Kurth, C.R. Proetto, K. Capelle, Dependence of response functions and orbital functionals on occupation numbers, J. Chem. Theory Comput. 5, 693 (2009)  and arXiv:cond-mat/0811.4583 

E. Khosravi, G. Stefanucci, S. Kurth, E.K.U. Gross, Bound States in Time-Dependent Quantum Transport: Oscillations and Memory Effects in Current and Density, Phys. Chem. Chem. Phys. 11, 4535 (2009) and arXiv:cond-mat/0803.0914

E. Khosravi, S. Kurth, G. Stefanucci, E.K.U. Gross, The Role of Bound States in Time-Dependent Quantum Transport, Appl. Phys. A 93, 355 (2008) and arXiv.org:cond-mat/0802.2516 

G. Stefanucci, S. Kurth, A. Rubio, E.K.U. Gross, A time-dependent approach to electron pumping in open quantum systems, Phys. Rev. B 77, 075339 (2008)  and arXiv:cond-mat/0701279

N. Helbig, S. Kurth, S. Pittalis, E. Räsänen, E.K.U. Gross, Orbital Functionals in Current-Spin-Density Functional Theory, Phys. Rev. B 77, 245106 (2008)  and arXiv:cond-mat/0605599 

S. Pittalis, S. Kurth, S. Sharma, E.K.U. Gross, Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem, J. Chem. Phys. 127, 124103 (2007) and arXiv.org:cond-mat/0704.1593 

S. Sharma, S. Pittalis, S. Kurth, S. Shallcross, J.K. Dewhurst, E.K.U. Gross, Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory, Phys. Rev. B 76, 100401 (2007)  and arXiv:cond-mat/0704.0244

S. Sharma, J.K. Dewhurst, C. Ambrosch-Draxl, S. Kurth, N. Helbig, S. Pittalis, E.K.U. Gross, S. Shallcross, L. Nordström, First-Principles Approach to Noncollinear Magnetism: Towards Spin Dynamics, Phys. Rev. Lett. 98, 196405 (2007)  and arXiv:cond-mat/0510800

G. Stefanucci, S. Kurth, A. Rubio, E.K.U. Gross, Time dependent transport phenomena, in: Molecular and Nano Electronics: Analysis, Design, and Simulations, 17, J. Seminario (ed.), (Elsevier) 247 (2007) Theor. & Comut. Chem. 17, 247 (2007) and arxiv.org:cond-mat/0607333 

S. Pittalis, S. Kurth, N. Helbig, E.K.U. Gross, Optimized Effective Potentials in Current-Spin-Density Functional Theory: an Application to Open-Shell Atoms, Phys. Rev. A 74, 062511 (2006)  and arXiv:cond-mat/0609696

S. Pittalis, S. Kurth, E.K.U. Gross, On the degeneracy of atomic states within exact-exchange (spin-) density functional theory, J. Chem. Phys. 125, 084105 (2006) and arXiv:physics/0605033

S. Pittalis, S. Kurth, The Optimized Effective Potential Method, in: Computational Condensed Matter Physics, S. Blügel, G. Gompper, E. Koch, H. Müller-Krumbhaar, R. Spatschek, R.G. Winkler (eds.), Schriften des Forschungszentrums Jülich, Matter and Materials Vol. 32 (2006) (PDF)

S. Kurth, S. Pittalis, The Optimized Effective Potential Method and LDA+U, in: Computational Nanoscience: Do It Yourself !, J. Grotendorst, S. Blügel, D. Marx (eds.), NIC Series Vol. 31 (2006)  (PDF)

G. Stefanucci, C.-O. Almbladh, S. Kurth, E.K.U. Gross, A. Rubio, R. van Leeuwen, N.-E. Dahlen, U. von Barth, Time-dependent transport through single molecules: nonequilibrium Green functions and TDDFT, in Time-Dependent Density Functional Theory, M.A.L Marques, C.A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross (eds.), Lecture Notes in Physics Vol. 706 (Springer, Berlin, 2006), (PDF)

S. Kurth, G. Stefanucci, C.-O. Almbladh, A. Rubio, E.K.U. Gross, Time-dependent quantum transport: a practical scheme using density functional theory, Phys. Rev. B 72, 035308 (2005)  and arXiv:cond-mat/0502391

S. Kurth, M.A.L. Marques, E.K.U. Gross, Electronic Structure: Density Functional Theory, in: Encyclopedia of Condensed Matter Physics, F. Bassani, G.L. Liedl and P. Wyder (eds.), (Elsevier, 2005) (PDF)

J.P. Perdew, S. Kurth, Density Functional Theory for Non-relativistic Coulomb Systems in the New Century, in: A Primer in Density Functional Theory, C. Fiolhais, M. Nogueira and M. Marques (eds.), Lecture Notes in Physics, Vol. 620 (Springer, Berlin, 2003) p.1 (PDF)

J.P. Perdew, S. Kurth, M. Seidl, Exploring the Adiabatic Connection between Weak- and Strong-Interaction Limits in Density Functional Theory, Int. J. Mod. Phys. B 15, 1672 (2001)  (PDF) 

J.B. Krieger, J. Chen, S. Kurth, Construction and Application of an Accurate Self-Interaction-Corrected Correlation Energy Functional Based on an Electron Gas with a Gap, in the Proceedings of the International Conference Density Functional Theory and its Applications to Materials, ed. by V. van Doren, C. van Alsenoy, and P. Geerlings, AIP Conference Proceedings Vol. 577, p. 48 (2001) (PDF)

S. Kurth, J.P. Perdew, Role of the Exchange-Correlation Energy: Nature’s Glue, Int. J. Quantum Chem. 77, 814 (2000)  (PDF) 

M. Seidl, J.P. Perdew, S. Kurth, Simulation of All-Order Density Functional Perturbation Theory, Using the Second Order and the Strong-Correlation Limit, Phys. Rev. Lett. 84, 5070 (2000)  (PDF) 

M. Seidl, J.P. Perdew, S. Kurth, Density Functionals for the Strong-Interaction Limit, Phys. Rev. A 62, 012502 (2000)  (PDF) 

S. Kurth, Exchange-Correlation Energy of the Non-uniformly Scaled Hydrogen Atom, J. Mol. Struct. (THEOCHEM) 501-502, 189 (2000)  (PDF) 

K. Schmidt, S. Kurth, J. Tao, J.P. Perdew, Comment to Correlation Holes in a Spin-Polarized Dense Electron Gas, Phys. Rev. B 62, 2227 (2000)  (PDF) 

Z. Yan, J.P. Perdew, S. Kurth, Density functional for short-range correlation: Accuracy of the random phase approximation for isoelectronic energy changes, Phys. Rev. B 61, 16430 (2000)  (PDF) 

P. Süle, S. Kurth, V.E. van Doren, Optimized effective potential method for polymers, J. Chem. Phys. 112, 7355 (2000)  (PDF) 

Z. Yan, J.P. Perdew, S. Kurth, C. Fiolhais, L. Almeida, Density Functional versus Wavefunction Methods: Toward a Benchmark for the Jellium Surface Energy, Phys. Rev. B 61, 2595 (2000)  (PDF) 

T. Grabo, T. Kreibich, S. Kurth, E.K.U. Gross, Orbital Functionals in Density Functional Theory: The Optimized Effective Potential Method, in Strong Coulomb Correlations and Electronic Structure Calculations: Beyond the Local Density Approximation, ed. by V.I. Anisimov, (Gordon and Breach, Amsterdam, 2000), p. 203 (PDF)

S. Kurth, J.P. Perdew, P. Blaha, Molecular and Solid State Tests of Density Functional Approximations: LSD, GGA’s and Meta-GGA’s, Int. J. Quantum Chem. 75, 889 (1999)  (PDF) 

S. Kurth, M. Marques, M. Lüders, E.K.U. Gross, Local Density Approximation for Superconductors, Phys. Rev. Lett. 83, 2628 (1999)  (PDF) 

P. Süle, S. Kurth, V.E. van Doren, Orbital Dependent Exchange-Only Methods for Periodic Systems, Phys. Rev. B 60, 5429 (1999)  (PDF) 

J.P. Perdew, S. Kurth, A. Zupan, P. Blaha, Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation, Phys. Rev. Lett. 82, 2544 (1999)  (PDF) 

S. Kurth, J.P. Perdew, Density-Functional Correction of RPA Correlation, with Results for Jellium Surface Energies, Phys. Rev. B 59, 10461 (1999)  (PDF)

J.P. Perdew, S. Kurth, Local and Semi-Local Density Functional Approximations for Exchange and Correlation: Why Do They Work and Do They Work Best at Zero Temperature? in Strongly Coupled Coulomb Systems, ed. by G.J. Kalman, J.M. Rommel, and K. Blagoev, (Plenum, New York, 1999), p. 281 (PDF)

S. Kurth, Towards New Approximations for the Exchange-Correlation Functional Using Many-Body Perturbation Theory, in: Electron Correlations and Materials Properties, ed. by A. Gonis, N. Kioussis and M. Ciftan, (Plenum, New York, 1999), p. 479 (PDF)

T. Kreibich, S. Kurth, T. Grabo, und E.K.U. Gross, Asymptotic Properties of the Optimized Effective Potential, Adv. Quantum Chem. 33, 31 (1998)  (PDF) 

P. Ziesche, S. Kurth, J.P. Perdew, Density Functionals from LDA to GGA, Comp. Mat. Sci. 11, 122 (1998)  (PDF) 

J.P. Perdew, S. Kurth, Density Functionals for Non-Relativistic Coulomb Systems, in Density Functionals: Theory and Applications, ed. by D.P. Joubert, Lecture Notes in Physics, Vol. 500 (Springer, Berlin, 1998), p. 8  (PDF)

E.K.U. Gross, S. Kurth, K. Capelle, M. Lüders, Density Functional Theory of the Superconducting State, in: Density Functional Theory, ed. by E.K.U. Gross and R.M. Dreizler, NATO ASI Series B 337 (Plenum, New York, 1995), p. 431 (PDF)

E.K.U. Gross, S. Kurth, Density Functional Theory, the Modern Treatment of Electron Correlations, in: Relativistic and Electron Correlation Effects in Molecules and Solids, ed. by G.L. Malli, NATO ASI Series B 318 (Plenum, New York, 1994), p. 367 (PDF)

E.K.U. Gross, S. Kurth, Density Functional Theory of the Superconducting State, Int. J. Quantum Chem. Symp. 25, 289 (1991) (PDF)

A. Inomata, A. Suparmi, S. Kurth, Remarks on the Supersymmetric WKB Quantization Formula, in: Group Theoretical Methods in Physics, ed. y V.V. Dodonov and V.I. Manko, Lecture Notes in Physics, Vol. 382 (Springer, Berlin, 1991), p. 399 (PDF)