P. Koval

发表

Tunable molecular plasmons in polycyclic aromatic hydrocarbons.

P. Nordlander, S. Thongrattanasiri, D. Sánchez-Portal, 2013, ACS nano.

Fast construction of the Kohn–Sham response function for molecules

Olivier Coulaud, Dietrich Foerster, Peter Koval, 2009, 0910.3796.

An O(N3) implementation of Hedin's GW approximation for molecules.

D. Sánchez-Portal, D. Foerster, D Foerster, 2011, The Journal of chemical physics.

Inelastic scattering of electrons in water from first principles: cross sections and inelastic mean free path for use in Monte Carlo track-structure simulations of biological damage

E. Artacho, J. Kohanoff, D. Emfietzoglou, 2021, Royal Society Open Science.

Electrical Control of Spin-polarized Topological Currents in Monolayer WTe$_2$

S. Roche, Jose H. Garcia, M. Verstraete, 2022, 2209.08670.

Nonsequential double recombination in intense laser fields.

C. Keitel, D. Bauer, P. Koval, 2006, Physical review letters.

Relativistic central-field Green's functions for the Ratip package

S. Fritzsche, P. Koval, 2004, Comput. Phys. Commun..

Computation of electron energy loss spectra by an iterative method

D. Sánchez-Portal, M. Ljungberg, D. Foerster, 2015 .

Relativistic wave and Green's functions for hydrogen-like ions

S. Fritzsche, P. Koval, 2003, physics/0307116.

Toward Efficient GW Calculations Using Numerical Atomic Orbitals: Benchmarking and Application to Molecular Dynamics Simulations.

D. Sánchez-Portal, M. Ljungberg, P. Koval, 2019, Journal of chemical theory and computation.

Qprop: A Schrödinger-solver for intense laser-atom interaction

Dieter Bauer, Peter Koval, D. Bauer, 2005, Comput. Phys. Commun..

Charge-transfer states and optical transitions at the pentacene-TiO2 interface

D. Sánchez-Portal, M. Ljungberg, M. Kira, 2017 .

Angular correlations in the two-photon decay of hydrogenlike ions: Relativistic Green’s-function approach

Stephan Fritzsche, Peter Koval, Andrey Surzhykov, 2005 .

A Parallel Iterative Method for Computing Molecular Absorption Spectra.

Olivier Coulaud, Peter Koval, Dietrich Foerster, 2010, Journal of chemical theory and computation.

Electron angular distributions in the two-photon ionization of hydrogen-like ions

S. Fritzsche, A. Surzhykov, P. Koval, 2003, physics/0312111.

Two-photon ionization of atomic inner-shells

P. Koval, 2004 .

PySCF-NAO: An efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals

Daniel Sánchez-Portal, Peter Koval, Marc Barbry, 2019, Comput. Phys. Commun..

Recent developments in the PySCF program package.

Timothy C. Berkelbach, George H. Booth, N. S. Blunt, 2020, The Journal of chemical physics.

Fully self-consistent GW and quasiparticle self-consistent GW for molecules

Dietrich Foerster, Peter Koval, D. Foerster, 2014, 1404.1715.

On the Kohn-Sham density response in a localized basis set.

Dietrich Foerster, Peter Koval, D. Foerster, 2009, The Journal of chemical physics.

Siesta: Recent developments and applications.

Victor Wen-zhe Yu, Volker Blum, Roberto Robles, 2020, The Journal of chemical physics.

Atomic-Scale Lightning Rod Effect in Plasmonic Picocavities: A Classical View to a Quantum Effect.

J. Aizpurua, D. Sánchez-Portal, N. Zabala, 2018, ACS Nano.

Atomic-Scale Lightning Rod E ff ect in Plasmonic Picocavities : A Classical View to a Quantum

J. Aizpurua, D. Sánchez-Portal, N. Zabala, 2018 .

Atomistic near-field nanoplasmonics: reaching atomic-scale resolution in nanooptics.

A. Borisov, J. Aizpurua, D. Sánchez-Portal, 2015, Nano letters.

Electrical control of spin-polarized topological currents in monolayer WTe2

S. Roche, P. Ordejón, Jose H. Garcia, 2022, Physical Review B.

Optical response of silver clusters and their hollow shells from linear-response TDDFT

Daniel Sánchez-Portal, Dietrich Foerster, Peter Koval, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations

Daniel Sánchez-Portal, Mark E. Casida, Ala Aldin M. H. M. Darghouth, 2015, Comput..

Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems

Mathias P. Ljungberg, Dietrich Foerster, Peter Koval, 2015, 1505.05440.

Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions

Stephan Fritzsche, Andrey Surzhykov, Peter Koval, 2005, Comput. Phys. Commun..

Nonlinear stopping effects of slow ions in a no-free-electron system: Titanium nitride

N. Arista, P. Koval, M. Vos, 2019, Physical Review A.

Relativistic and retardation effects in the two-photon ionization of hydrogen-like ions

S. Fritzsche, A. Surzhykov, P. Koval, 2003, physics/0307114.

Plasmonic Response of Metallic Nanojunctions Driven by Single Atom Motion: Quantum Transport Revealed in Optics

Javier Aizpurua, Daniel Sánchez-Portal, Marc Barbry, 2016 .

Optical response of metallic nanojunctions driven by single atom motion

J. Aizpurua, D. Sánchez-Portal, M. Barbry, 2015, 1509.07194.

First-principles calculation of plasmonic resonances and electric field enhancement in metal-cluster dimers

J. Aizpurua, D. Sánchez-Portal, P. Ordejón, 2014 .

Tunable molecular plasmons in polycyclic aromatic hydrocarbons.

P. Nordlander, S. Thongrattanasiri, D. Sánchez-Portal, 2013, ACS nano.

Molecular Doping in the Organic Semiconductor Diindenoperylene: Insights from Many-Body Perturbation Theory

D. Sánchez-Portal, S. Sharifzadeh, P. Koval, 2023, The journal of physical chemistry. C, Nanomaterials and interfaces.