Staff profile

Chapter in book

• 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 (199-229). Elsevier. https://doi.org/10.1016/bs.aiq.2015.06.001
• 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 (129-142). Academic Press. https://doi.org/10.1016/bs.aamop.2015.06.003

Journal Article

• 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
• 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
• 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., Frauenheim, T., …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
• 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
• 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
• Callow, T., Pearce, B., & Gidopoulos, N. (2022). Density functionals with spin-density accuracy for open shells. The Journal of Chemical Physics, 156(11), Article 111101. https://doi.org/10.1063/5.0071991
• Callow, T., Lathiotakis, N., & Gidopoulos, N. (2020). Density-inversion method for the Kohn-Sham potential: role of the screening density. The Journal of Chemical Physics, 152(16), Article 164114. https://doi.org/10.1063/5.0005781
• 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
• 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
• 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
• 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
• Theophilou, I., Lathiotakis, N., Gidopoulos, N., Rubio, A., & Helbig, N. (2015). Orbitals from local RDMFT: Are they Kohn-Sham or Natural Orbitals?. The Journal of Chemical Physics, 143(5), https://doi.org/10.1063/1.4927784
• Blair, A., Kroukis, A., & Gidopoulos, N. (2015). A correction for the Hartree-Fock density of states for jellium without screening. The Journal of Chemical Physics, 142(8), Article 084116. https://doi.org/10.1063/1.4909519
• 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
• 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
• 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 A: Mathematical, Physical and Engineering Sciences, 372(2011), Article 20130059. https://doi.org/10.1098/rsta.2013.0059
• 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
• 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
• 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
• Calvani, D., Cuccoli, A., Gidopoulos, N., & Verrucchi, P. (2013). Dynamics of Open Quantum Systems Using Parametric Representation with Coherent States. Open Systems and Information Dynamics, 20(03), https://doi.org/10.1142/s1230161213400027
• Gidopoulos, N., & Lathiotakis, N. (2012). Constraining density functional approximations to yield self-interaction free potentials. The Journal of Chemical Physics, 136(22), Article 224109. https://doi.org/10.1063/1.4728156
• 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
• 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