Koval P - Search Results

1

A Parallel Iterative Method for Computing Molecular Absorption Spectra.

Koval P, Foerster D, Coulaud O. Koval P, et al. J Chem Theory Comput. 2010 Sep 14;6(9):2654-68. doi: 10.1021/ct100280x. Epub 2010 Aug 17. J Chem Theory Comput. 2010. PMID: 26616067

2

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

Foerster D, Koval P, Sánchez-Portal D. Foerster D, et al. Among authors: koval p. J Chem Phys. 2011 Aug 21;135(7):074105. doi: 10.1063/1.3624731. J Chem Phys. 2011. PMID: 21861554

3

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

Foerster D, Koval P. Foerster D, et al. Among authors: koval p. J Chem Phys. 2009 Jul 28;131(4):044103. doi: 10.1063/1.3179755. J Chem Phys. 2009. PMID: 19655833

4

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

Koval P, Marchesin F, Foerster D, Sánchez-Portal D. Koval P, et al. J Phys Condens Matter. 2016 Jun 2;28(21):214001. doi: 10.1088/0953-8984/28/21/214001. Epub 2016 May 5. J Phys Condens Matter. 2016. PMID: 27147701

5

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

Koval P, Ljungberg MP, Müller M, Sánchez-Portal D. Koval P, et al. J Chem Theory Comput. 2019 Aug 13;15(8):4564-4580. doi: 10.1021/acs.jctc.9b00436. Epub 2019 Jul 18. J Chem Theory Comput. 2019. PMID: 31318555

6

Siesta: Recent developments and applications.

García A, Papior N, Akhtar A, Artacho E, Blum V, Bosoni E, Brandimarte P, Brandbyge M, Cerdá JI, Corsetti F, Cuadrado R, Dikan V, Ferrer J, Gale J, García-Fernández P, García-Suárez VM, García S, Huhs G, Illera S, Korytár R, Koval P, Lebedeva I, Lin L, López-Tarifa P, Mayo SG, Mohr S, Ordejón P, Postnikov A, Pouillon Y, Pruneda M, Robles R, Sánchez-Portal D, Soler JM, Ullah R, Yu VW, Junquera J. García A, et al. Among authors: koval p. J Chem Phys. 2020 May 29;152(20):204108. doi: 10.1063/5.0005077. J Chem Phys. 2020. PMID: 32486661

7

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

Barbry M, Koval P, Marchesin F, Esteban R, Borisov AG, Aizpurua J, Sánchez-Portal D. Barbry M, et al. Among authors: koval p. Nano Lett. 2015 May 13;15(5):3410-9. doi: 10.1021/acs.nanolett.5b00759. Epub 2015 May 4. Nano Lett. 2015. PMID: 25915173

8

On-surface synthesis of Mn-phthalocyanines with optically active ligands.

Domínguez-Celorrio A, Garcia-Fernandez C, Quiroga S, Koval P, Langlais V, Peña D, Sánchez-Portal D, Serrate D, Lobo-Checa J. Domínguez-Celorrio A, et al. Among authors: koval p. Nanoscale. 2022 Jun 9;14(22):8069-8077. doi: 10.1039/d2nr00721e. Nanoscale. 2022. PMID: 35608129

9

Tunable molecular plasmons in polycyclic aromatic hydrocarbons.

Manjavacas A, Marchesin F, Thongrattanasiri S, Koval P, Nordlander P, Sánchez-Portal D, García de Abajo FJ. Manjavacas A, et al. Among authors: koval p. ACS Nano. 2013 Apr 23;7(4):3635-43. doi: 10.1021/nn4006297. Epub 2013 Mar 21. ACS Nano. 2013. PMID: 23484678

10

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

Urbieta M, Barbry M, Zhang Y, Koval P, Sánchez-Portal D, Zabala N, Aizpurua J. Urbieta M, et al. Among authors: koval p. ACS Nano. 2018 Jan 23;12(1):585-595. doi: 10.1021/acsnano.7b07401. Epub 2018 Jan 11. ACS Nano. 2018. PMID: 29298379

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