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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.
J Chem Phys. 2020 May 21;152(19):194103. doi: 10.1063/5.0007045.
J Chem Phys. 2020.
PMID: 33687235
Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods.
Hehn AS, Sertcan B, Belleflamme F, Chulkov SK, Watkins MB, Hutter J.
Hehn AS, et al. Among authors: chulkov sk.
J Chem Theory Comput. 2022 Jul 12;18(7):4186-4202. doi: 10.1021/acs.jctc.2c00144. Epub 2022 Jun 27.
J Chem Theory Comput. 2022.
PMID: 35759470
Free PMC article.
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First principles calculations of optical properties for oxygen vacancies in binary metal oxides.
Strand J, Chulkov SK, Watkins MB, Shluger AL.
Strand J, et al. Among authors: chulkov sk.
J Chem Phys. 2019 Jan 28;150(4):044702. doi: 10.1063/1.5078682.
J Chem Phys. 2019.
PMID: 30709253
Free article.
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A fragment method for systematic improvement of anharmonic adsorbate vibrational frequencies: acetylene on Cu(001).
Chulkov SK, Benoit DM.
Chulkov SK, et al.
J Chem Phys. 2013 Dec 7;139(21):214704. doi: 10.1063/1.4829461.
J Chem Phys. 2013.
PMID: 24320391
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Analysis of rich inelastic electron tunneling spectra: case study of terthiophene on Au(111).
Koslowski B, Maurer N, Stocker M, Chulkov SK, Benoit DM, Ziemann P.
Koslowski B, et al. Among authors: chulkov sk.
Rev Sci Instrum. 2013 Apr;84(4):043907. doi: 10.1063/1.4803008.
Rev Sci Instrum. 2013.
PMID: 23635209
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Towards a scalable and accurate quantum approach for describing vibrations of molecule-metal interfaces.
Benoit DM, Madebene B, Ulusoy I, Mancera L, Scribano Y, Chulkov S.
Benoit DM, et al. Among authors: chulkov s.
Beilstein J Nanotechnol. 2011;2:427-47. doi: 10.3762/bjnano.2.48. Epub 2011 Aug 10.
Beilstein J Nanotechnol. 2011.
PMID: 22003450
Free PMC article.
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The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study.
Poli E, Elliott JD, Chulkov SK, Watkins MB, Teobaldi G.
Poli E, et al. Among authors: chulkov sk.
Front Chem. 2019 Apr 10;7:210. doi: 10.3389/fchem.2019.00210. eCollection 2019.
Front Chem. 2019.
PMID: 31024896
Free PMC article.
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Reconstruction of Density Functionals from Kohn-Sham Potentials by Integration along Density Scaling Paths.
Gaiduk AP, Chulkov SK, Staroverov VN.
Gaiduk AP, et al. Among authors: chulkov sk.
J Chem Theory Comput. 2009 Apr 14;5(4):699-707. doi: 10.1021/ct800514z. Epub 2009 Mar 10.
J Chem Theory Comput. 2009.
PMID: 26609574
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