Staff profile

Chapter in book

• Chapter Eleven - Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches
  
  Pernal, K., Gidopoulos, N. I., & Pastorczak, E. (2015). Chapter Eleven - Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches. In P. E. Hoggan & T. Ozdogan (Eds.), Electron correlation in molecules – ab initio beyond Gaussian quantum chemistry. (pp. 199-229). Elsevier. https://doi.org/10.1016/bs.aiq.2015.06.001
• Chapter Six – Constrained Local Potentials for Self-Interaction Correction
  
  Gidopoulos, N., & Lathiotakis, N. (2015). Chapter Six – Constrained Local Potentials for Self-Interaction Correction. In E. Arimondo, P. R. Berman, & C. Lin (Eds.), Advances in atomic, molecular, and optical physics. (pp. 129-142). Academic Press. https://doi.org/10.1016/bs.aamop.2015.06.003

Journal Article

• Electrostatics of metallic surfaces in periodic density functional theory simulations within and beyond the linear response regime
  
  Scivetti, I., Gidopoulos, N. I., & Teobaldi, G. (2023). Electrostatics of metallic surfaces in periodic density functional theory simulations within and beyond the linear response regime. Physical Review B, 108(16), Article 165423. https://doi.org/10.1103/PhysRevB.108.165423
• Effective local potentials for density and density-matrix functional approximations with non-negative screening density
  
  Pitts, T. C., Bousiadi, S., Gidopoulos, N. I., & Lathiotakis, N. N. (2023). Effective local potentials for density and density-matrix functional approximations with non-negative screening density. The Journal of Chemical Physics, 158(18), Article 184105. https://doi.org/10.1063/5.0143757
• DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
  
  Teale, A. M., Helgaker, T., Savin, A., Adano, C., Aradi, B., Arbuznikov, A. V., Ayers, P., Baerends, E. J., Barone, V., Calaminici, P., Cances, E., Carter, E. A., Chattaraj, P. K., Chermette, H., Ciofini, I., Crawford, T. D., De Proft, F., Dobson, J., Draxl, C., … Yang, W. (2022). DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science. Physical Chemistry Chemical Physics, 24(47), 28700-28781. https://doi.org/10.1039/d2cp02827a
• Density inversion method for local basis sets without potential auxiliary functions: inverting densities from RDMFT
  
  Bousiadi, S., Gidopoulos, N. I., & Lathiotakis, N. N. (2022). Density inversion method for local basis sets without potential auxiliary functions: inverting densities from RDMFT. Physical Chemistry Chemical Physics, 24(32), 19279-19286. https://doi.org/10.1039/d2cp01866g
• Enhanced electron-phonon coupling near an electronic quantum phase transition
  
  Gidopoulos, N. (2022). Enhanced electron-phonon coupling near an electronic quantum phase transition. Journal of Physics: Condensed Matter, 34(14), Article 14LT01. https://doi.org/10.1088/1361-648x/ac4dbe
• Density functionals with spin-density accuracy for open shells
  
  Callow, T., Pearce, B., & Gidopoulos, N. (2022). Density functionals with spin-density accuracy for open shells. Journal of Chemical Physics, 156(11), Article 111101. https://doi.org/10.1063/5.0071991
• Density-inversion method for the Kohn-Sham potential: role of the screening density
  
  Callow, T., Lathiotakis, N., & Gidopoulos, N. (2020). Density-inversion method for the Kohn-Sham potential: role of the screening density. Journal of Chemical Physics, 152(16), Article 164114. https://doi.org/10.1063/5.0005781
• Optimal power series expansions of the Kohn-Sham potential
  
  Callow, T. J., & Gidopoulos, N. I. (2018). Optimal power series expansions of the Kohn-Sham potential. The European Physical Journal B, 91(10), Article 209. https://doi.org/10.1140/epjb/e2018-90189-2
• Performance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential
  
  Pitts, T., Gidopoulos, N., & Lathiotakis, N. (2018). Performance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential. The European Physical Journal B, 91(6), Article 130. https://doi.org/10.1140/epjb/e2018-90123-8
• Self-interaction free local exchange potentials applied to metallic systems
  
  Clark, S. J., Hollins, T. W., Refson, K., & Gidopoulos, N. I. (2017). Self-interaction free local exchange potentials applied to metallic systems. Journal of Physics: Condensed Matter, 29(37), Article 374002. https://doi.org/10.1088/1361-648x/aa7ba6
• A local Fock-exchange potential in Kohn–Sham equations
  
  Hollins, T., Clark, S., Refson, K., & Gidopoulos, N. (2017). A local Fock-exchange potential in Kohn–Sham equations. Journal of Physics: Condensed Matter, 29(4), Article 04LT01. https://doi.org/10.1088/1361-648x/29/4/04lt01
• Orbitals from local RDMFT: Are they Kohn-Sham or Natural Orbitals?
  
  Theophilou, I., Lathiotakis, N., Gidopoulos, N., Rubio, A., & Helbig, N. (2015). Orbitals from local RDMFT: Are they Kohn-Sham or Natural Orbitals?. Journal of Chemical Physics, 143(5). https://doi.org/10.1063/1.4927784
• A correction for the Hartree-Fock density of states for jellium without screening
  
  Blair, A., Kroukis, A., & Gidopoulos, N. (2015). A correction for the Hartree-Fock density of states for jellium without screening. Journal of Chemical Physics, 142(8), Article 084116. https://doi.org/10.1063/1.4909519
• Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations
  
  Lathiotakis, N., Helbig, N., Rubio, A., & Gidopoulos, N. (2014). Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations. Physical Review A, 90(3), Article 032511. https://doi.org/10.1103/physreva.90.032511
• Distinct Magnetic Phase Transition at the Surface of an Antiferromagnet
  
  Langridge, S., Watson, G., Gibbs, D., Betouras, J., Gidopoulos, N., Pollmann, F., Long, M., Vettier, C., & Lander, G. (2014). Distinct Magnetic Phase Transition at the Surface of an Antiferromagnet. Physical Review Letters, 112(16), Article 167201. https://doi.org/10.1103/physrevlett.112.167201
• Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation
  
  Gidopoulos, N., & Gross, E. (2014). Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation. Philosophical Transactions of the Royal Society of London A: Mathematical, Physical and Engineering Sciences., 372(2011), Article 20130059. https://doi.org/10.1098/rsta.2013.0059
• Reply to “Comment on ‘Nonanalyticity of the optimized effective potential with finite basis sets’ ”
  
  Gidopoulos, N., & Lathiotakis, N. (2013). Reply to “Comment on ‘Nonanalyticity of the optimized effective potential with finite basis sets’ ”. Physical Review A, 88(4), Article 046502. https://doi.org/10.1103/physreva.88.046502
• Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle
  
  Pastorczak, E., Gidopoulos, N., & Pernal, K. (2013). Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle. Physical Review A, 87(6), Article 062501. https://doi.org/10.1103/physreva.87.062501
• Parametric representation of open quantum systems and cross-over from quantum to classical environment
  
  Calvani, D., Cuccoli, A., Gidopoulos, N., & Verrucchi, P. (2013). Parametric representation of open quantum systems and cross-over from quantum to classical environment. Proceedings of the National Academy of Sciences, 110(17), 6748-6753. https://doi.org/10.1073/pnas.1217776110
• Dynamics of Open Quantum Systems Using Parametric Representation with Coherent States
  
  Calvani, D., Cuccoli, A., Gidopoulos, N., & Verrucchi, P. (2013). Dynamics of Open Quantum Systems Using Parametric Representation with Coherent States. Open Systems & Information Dynamics, 20(03). https://doi.org/10.1142/s1230161213400027
• Constraining density functional approximations to yield self-interaction free potentials
  
  Gidopoulos, N., & Lathiotakis, N. (2012). Constraining density functional approximations to yield self-interaction free potentials. Journal of Chemical Physics, 136(22), Article 224109. https://doi.org/10.1063/1.4728156
• Nonanalyticity of the optimized effective potential with finite basis sets
  
  Gidopoulos, N., & Lathiotakis, N. (2012). Nonanalyticity of the optimized effective potential with finite basis sets. Physical Review A, 85(5), Article 052508. https://doi.org/10.1103/physreva.85.052508
• Progress at the interface of wave-function and density-functional theories.
  
  Gidopoulos, N. (2011). Progress at the interface of wave-function and density-functional theories. Physical Review. A., 83(4), Article 040502. https://doi.org/10.1103/physreva.83.040502