Staff profile

• Centre for Materials Physics
• Condensed Matter Physics
• First Principles Calculations

• 2016: Progress in Kohn Sham electronic structure theory from a wave function approach(£184351.00 from Leverhulme Trust)
• 2015: Tailoring of triplet excited states for the development of organic sensor materials(£69606.28 from Samsung Electronics Co. Ltd)

Chapter in book

• Pernal, Katarzyna, Gidopoulos, Nikitas I & Pastorczak, Ewa (2016). Chapter Eleven - Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches. In Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry. Hoggan, Philip E & Ozdogan, Telhat Elsevier. 73: 199-229.
• Gidopoulos, N.I. & Lathiotakis, N.N. (2015). Chapter Six – Constrained Local Potentials for Self-Interaction Correction. In Advances in Atomic, Molecular, and Optical Physics. Arimondo, E., Berman, Paul R. & Lin, Chun Amsterdam: Academic Press. 64: 129-142.

Journal Article

• Teale, Andrew Michael, Helgaker, Trygve, Savin, Andreas, Adano, Carlo, Aradi, Bálint, Arbuznikov, Alexei V., Ayers, Paul, Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cances, Eric, Carter, Emily Ann, Chattaraj, Pratim K., Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, De Proft, Frank, Dobson, John, Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jiali, Geerlings, Paul, Gidopoulos, Nikitas, Gill, Peter M W, Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R., Jones, Robert O, Kaupp, Martin, Koster, Andreas, Kronik, Leeor, Krylov, Anna I, Kvaal, Simen, Laestadius, Andre, Levy, Melvyn P., Lewin, Mathieu, Liu, SB, Loos, Pierre-François, Maitra, Neepa T, Neese, Frank, Perdew, John, Pernal, Katarzyna, Pernot, Pascal, Piecuch, P., Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn Salahub, Dennis Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N., Sun, Jianwei, Tellgren, Erik, Tozer, David J, Trickey, Samuel, Ullrich, Carsten A, Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz Adam, Xu, Xin & Yang, Weitao (2022). DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science. Physical Chemistry Chemical Physics 24(47): 28700-28781.
• Bousiadi, Sofia, Gidopoulos, Nikitas I. & Lathiotakis, Nektarios 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.
• Callow, Timothy, Pearce, Benjamin & Gidopoulos, Nikitas (2022). Density functionals with spin-density accuracy for open shells. The Journal of Chemical Physics 156(11): 111101.
• Gidopoulos, Nikitas (2022). Enhanced electron-phonon coupling near an electronic quantum phase transition. Journal of Physics: Condensed Matter 34(14): 14LT01.
• Callow, T.J., Lathiotakis, N.N. & Gidopoulos, N.I. (2020). Density-inversion method for the Kohn-Sham potential: role of the screening density. The Journal of Chemical Physics 152(16): 164114
• Callow, Timothy J. & Gidopoulos, Nikitas I. (2018). Optimal power series expansions of the Kohn-Sham potential. The European Physical Journal B 91(10): 209.
• Pitts, Tom, Gidopoulos, Nikitas & 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): 130.
• Clark, Stewart J., Hollins, Thomas W., Refson, Keith & Gidopoulos, Nikitas I. (2017). Self-interaction free local exchange potentials applied to metallic systems. Journal of Physics: Condensed Matter 29(37): 374002.
• Hollins, T.W., Clark, S.J. Refson, K. & Gidopoulos, N.I. (2017). A local Fock-exchange potential in Kohn–Sham equations. Journal of Physics: Condensed Matter 29(4): 04LT01.
• Blair, Alexander, Kroukis, Aristeidis & Gidopoulos, N.I. (2015). A correction for the Hartree-Fock density of states for jellium without screening. The Journal of Chemical Physics 142(8): 084116.
• Theophilou, I., Lathiotakis, N.N., Gidopoulos, N.I., Rubio, A. & Helbig, N. (2015). Orbitals from local RDMFT: Are they Kohn-Sham or Natural Orbitals? The Journal of Chemical Physics 143(5): 054106.
• Lathiotakis, N.N., Helbig, N., Rubio, A. & Gidopoulos, N.I. (2014). Local reduced-density-matrix-functional theory: Incorporating static correlation effects in Kohn-Sham equations. Physical Review A 90(3): 032511.
• Langridge, S., Watson, G. M. Gibbs, D., Betouras, J.J. Gidopoulos, N.I. Pollmann, F., Long, M.W., Vettier, C. & Lander, G.H. (2014). Distinct Magnetic Phase Transition at the Surface of an Antiferromagnet. Physical Review Letters 112(16): 167201.
• Gidopoulos, N.I. & Gross, E.K.U. (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): 20130059.
• Calvani, D., Cuccoli, A. Gidopoulos, N.I. & Verrucchi, P. (2013). Parametric representation of open quantum systems and cross-over from quantum to classical environment. PNAS - Proceedings of the National Academy of Sciences of the United States of America 110(17): 6748-6753.
• Gidopoulos, N.I. & Lathiotakis, N.N. (2013). Reply to “Comment on ‘Nonanalyticity of the optimized effective potential with finite basis sets’ ”. Physical Review A 88(4): 046502.
• Pastorczak, E. Gidopoulos, N.I. & Pernal, K. (2013). Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle. Physical Review A 87(6): 062501.
• Calvani, D, Cuccoli, A, Gidopoulos, NI & Verrucchi, P (2013). Dynamics of Open Quantum Systems Using Parametric Representation with Coherent States. Open Systems & Information Dynamics 20(03): 1340002 [12 pages].
• Gidopoulos, N.I. & Lathiotakis, N.N. (2012). Constraining density functional approximations to yield self-interaction free potentials. The Journal of Chemical Physics 136(22): 224109
• Gidopoulos, N.I. & Lathiotakis, N.N. (2012). Nonanalyticity of the optimized effective potential with finite basis sets. Physical Review A: atomic, molecular and optical physics 85(5): 052508.
• Gidopoulos, N.J. (2011). Progress at the interface of wave-function and density-functional theories. Physical Review A: atomic, molecular and optical physics 83(4): 040502.