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Peter Koval
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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
5592020
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
3432015
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
3062020
Qprop: A Schrödinger-solver for intense laser–atom interaction
D Bauer, P Koval
Computer physics communications 174 (5), 396-421, 2006
2602006
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
2012018
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
1322014
Tunable molecular plasmons in polycyclic aromatic hydrocarbons
A Manjavacas, F Marchesin, S Thongrattanasiri, P Koval, P Nordlander, ...
ACS nano 7 (4), 3635-3643, 2013
1282013
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
1252011
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
602016
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
60*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
532005
ET; Sun, C.; Sun, S
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
N, 0
50
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
492015
Nonsequential double recombination in intense laser fields
P Koval, F Wilken, D Bauer, CH Keitel
Physical review letters 98 (4), 043904, 2007
422007
Angular correlations in the two-photon decay of hydrogenlike ions: Relativistic Green’s-function approach
A Surzhykov, P Koval, S Fritzsche
Physical Review A 71 (2), 022509, 2005
422005
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
322016
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
272003
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
262010
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
252015
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
252003
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