Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals M Lüders, MAL Marques, NN Lathiotakis, A Floris, G Profeta, L Fast, ... Physical Review B—Condensed Matter and Materials Physics 72 (2), 024545, 2005 | 361 | 2005 |
Ab initio theory of superconductivity. II. Application to elemental metals MAL Marques, M Lüders, NN Lathiotakis, G Profeta, A Floris, L Fast, ... Physical Review B—Condensed Matter and Materials Physics 72 (2), 024546, 2005 | 279 | 2005 |
Reduced density matrix functional for many-electron systems S Sharma, JK Dewhurst, NN Lathiotakis, EKU Gross Physical Review B—Condensed Matter and Materials Physics 78 (20), 201103, 2008 | 236 | 2008 |
Superconducting properties of MgB2 from first principles A Floris, A Sanna, M Lüders, G Profeta, NN Lathiotakis, MAL Marques, ... Physica C: Superconductivity 456 (1-2), 45-53, 2007 | 226 | 2007 |
Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure:<? format?> A First-Principles Study G Profeta, C Franchini, NN Lathiotakis, A Floris, A Sanna, MAL Marques, ... Physical review letters 96 (4), 047003, 2006 | 197 | 2006 |
Tight binding molecular dynamics study of Ni clusters NN Lathiotakis, AN Andriotis, M Menon, J Connolly The Journal of chemical physics 104 (3), 992-1003, 1996 | 130 | 1996 |
In-plane force fields and elastic properties of graphene G Kalosakas, NN Lathiotakis, C Galiotis, K Papagelis Journal of Applied Physics 113 (13), 2013 | 128 | 2013 |
Codoping: A possible pathway for inducing ferromagnetism in ZnO NN Lathiotakis, AN Andriotis, M Menon Physical Review B—Condensed Matter and Materials Physics 78 (19), 193311, 2008 | 127 | 2008 |
Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas NN Lathiotakis, S Sharma, JK Dewhurst, FG Eich, MAL Marques, ... Physical Review A—Atomic, Molecular, and Optical Physics 79 (4), 040501, 2009 | 118 | 2009 |
Benchmark calculations for reduced density-matrix functional theory NN Lathiotakis, MAL Marques The Journal of chemical physics 128 (18), 2008 | 96 | 2008 |
Empirical functionals for reduced-density-matrix-functional theory MAL Marques, NN Lathiotakis Physical Review A—Atomic, Molecular, and Optical Physics 77 (3), 032509, 2008 | 95 | 2008 |
Performance of one-body reduced density-matrix functionals for the homogeneous electron gas NN Lathiotakis, N Helbig, EKU Gross Physical Review B—Condensed Matter and Materials Physics 75 (19), 195120, 2007 | 80 | 2007 |
Towards a formal definition of static and dynamic electronic correlations CL Benavides-Riveros, NN Lathiotakis, MAL Marques Physical Chemistry Chemical Physics 19 (20), 12655-12664, 2017 | 70 | 2017 |
Tight-binding molecular-dynamics study of transition-metal clusters M Menon, J Connolly, N Lathiotakis, A Andriotis Physical Review B 50 (12), 8903, 1994 | 66 | 1994 |
Optical and magnetic properties of boron fullerenes S Botti, A Castro, NN Lathiotakis, X Andrade, MAL Marques Physical Chemistry Chemical Physics 11 (22), 4523-4527, 2009 | 61 | 2009 |
Ab initio prediction of pressure-induced superconductivity in potassium A Sanna, C Franchini, A Floris, G Profeta, NN Lathiotakis, M Lüders, ... Physical Review B—Condensed Matter and Materials Physics 73 (14), 144512, 2006 | 59 | 2006 |
Generalized Pauli constraints in reduced density matrix functional theory I Theophilou, NN Lathiotakis, MAL Marques, N Helbig The Journal of chemical physics 142 (15), 2015 | 58 | 2015 |
Graphene allotropes under extreme uniaxial strain: an ab initio theoretical study ZG Fthenakis, NN Lathiotakis Physical Chemistry Chemical Physics 17 (25), 16418-16427, 2015 | 58 | 2015 |
Discontinuity of the chemical potential in reduced-density-matrix-functional theory N Helbig, NN Lathiotakis, M Albrecht, EKU Gross Europhysics Letters 77 (6), 67003, 2007 | 53 | 2007 |
The elk FP-LAPW code K Dewhurst, S Sharma, L Nordstrom, F Cricchio, F Bultmark, H Gross, ... ELK, http://elk. sourceforge. net, 2016 | 52 | 2016 |