Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020 | 673 | 2020 |
Atomistic near-field nanoplasmonics: Reaching atomic-scale resolution in nanooptics M Barbry, P Koval, F Marchesin, R Esteban, AG Borisov, J Aizpurua, ... Nano letters 15 (5), 3410-3419, 2015 | 350 | 2015 |
Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of Chemical Physics 152 (20), 204108, 2020 | 337 | 2020 |
Qprop: A Schrödinger-solver for intense laser–atom interaction D Bauer, P Koval Computer physics communications 174 (5), 396-421, 2006 | 262 | 2006 |
Atomic-Scale Lightning Rod Effect in Plasmonic Picocavities: A Classical View to a Quantum Effect M Urbieta, M Barbry, Y Zhang, P Koval, D Sánchez-Portal, N Zabala, ... ACS nano 12 (1), 585-595, 2018 | 209 | 2018 |
Fully self-consistent G W and quasiparticle self-consistent G W for molecules P Koval, D Foerster, D Sánchez-Portal Physical Review B 89 (15), 155417, 2014 | 140 | 2014 |
Tunable molecular plasmons in polycyclic aromatic hydrocarbons A Manjavacas, F Marchesin, S Thongrattanasiri, P Koval, P Nordlander, ... ACS nano 7 (4), 3635-3643, 2013 | 129 | 2013 |
An O (N3) implementation of Hedin's GW approximation for molecules D Foerster, P Koval, D Sánchez-Portal The Journal of chemical physics 135 (7), 2011 | 126 | 2011 |
ET; Sun, C.; Sun, S Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... N, 0 | 66 | |
Plasmonic response of metallic nanojunctions driven by single atom motion: quantum transport revealed in optics F Marchesin, P Koval, M Barbry, J Aizpurua, D Sánchez-Portal ACS Photonics 3 (2), 269-277, 2016 | 61 | 2016 |
Optical response of metallic nanojunctions driven by single atom motion F Marchesin, P Koval, M Barbry, J Aizpurua, D Sanchez-Portal arXiv preprint arXiv:1509.07194, 2015 | 61* | 2015 |
Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions A Surzhykov, P Koval, S Fritzsche Computer Physics Communications 165 (2), 139-156, 2005 | 54 | 2005 |
Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems MP Ljungberg, P Koval, F Ferrari, D Foerster, D Sanchez-Portal Physical Review B 92 (7), 075422, 2015 | 51 | 2015 |
Nonsequential double recombination in intense laser fields P Koval, F Wilken, D Bauer, CH Keitel Physical review letters 98 (4), 043904, 2007 | 44 | 2007 |
Angular correlations in the two-photon decay of hydrogenlike ions: Relativistic Green’s-function approach A Surzhykov, P Koval, S Fritzsche Physical Review A—Atomic, Molecular, and Optical Physics 71 (2), 022509, 2005 | 42 | 2005 |
Optical response of silver clusters and their hollow shells from linear-response TDDFT P Koval, F Marchesin, D Foerster, D Sánchez-Portal Journal of Physics: Condensed Matter 28 (21), 214001, 2016 | 34 | 2016 |
Relativistic and retardation effects in the two-photon ionization of hydrogen-like ions P Koval, S Fritzsche, A Surzhykov Journal of Physics B: Atomic, Molecular and Optical Physics 36 (5), 873, 2003 | 28 | 2003 |
A parallel iterative method for computing molecular absorption spectra P Koval, D Foerster, O Coulaud Journal of Chemical Theory and Computation 6 (9), 2654-2668, 2010 | 27 | 2010 |
Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW … AAMHM Darghouth, ME Casida, W Taouali, K Alimi, MP Ljungberg, ... Computation 3 (4), 616-656, 2015 | 26 | 2015 |
Electron angular distributions in the two-photon ionization of hydrogen-like ions: a relativistic description P Koval, S Fritzsche, A Surzhykov Journal of Physics B: Atomic, Molecular and Optical Physics 37 (2), 375, 2003 | 25 | 2003 |