المؤلفون: Guevara-Vela, José Manuel, Gallegos, Miguel, Rocha-Rinza, Tomás, Muñoz-Castro, Álvaro, Kessler, Peter L. Rodríguez^{Aff5, IDs00894024060995_cor5}, Martín Pendás, Ángel^{Aff2, IDs00894024060995_cor6}

المصدر: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 30(9)

المؤلفون: Khomyakov, Petr A., Wellendorff, Jess, Palsgaard, Mattias, Gunst, Tue, Miyagi, Haruhide, Verstichel, Brecht, Corsetti, Fabiano, Arcisauskaite, Vaida, Martinez, Umberto, Blom, Anders, Smidstrup, Soren

المصدر: 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) Simulation of Semiconductor Processes and Devices (SISPAD), 2021 International Conference on. :124-127 Sep, 2021

Relation: 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)

المؤلفون: Nielsen, Dallin, Put, Maarten Van de, Fischetti, Massimo

المصدر: 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) Simulation of Semiconductor Processes and Devices (SISPAD), 2021 International Conference on. :133-137 Sep, 2021

Relation: 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)

المؤلفون: Franco, Leandro R., Marchiori, Cleber, Araujo, Moyses, 1975

المصدر: Journal of Chemical Physics. 159(20)

مصطلحات موضوعية: Binding energy, Density functional theory, Electronic properties, Excitons, Molecular orbitals, Redox reactions, fullerene, solvent, Electron-acceptor, Exciton-binding energy, Functionals, Fundamental gaps, Hybrid approach, Hybrid functionals, Optical-gap, Organic photovoltaics, Oxidation potentials, Reduction potential, article, controlled study, density functional theory, dielectric constant, electron, oxidation, oxidation reduction potential, Fullerenes, Physics, Fysik

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kau:diva-97689
https://doi.org/10.1063/5.0163180
https://kau.diva-portal.org/smash/get/diva2:1818362/FULLTEXT01.pdf

المؤلفون: Chernyshev, V. A., Glukhov, K. I., Agzamova, P. A.^{Aff2, IDs10948022063163_cor3}

المصدر: Journal of Superconductivity and Novel Magnetism. 35(8):2231-2239

المؤلفون: Chernyshev, V. A.^{Aff1, IDS1063783422060026_cor1}, Petrov, V. P.

المصدر: Physics of the Solid State. 64(5):234-247

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المؤلفون: Boqin Zhang, Xin Jing, Shashikant Kumar, Phanish Suryanarayana

المصدر: SoftwareX, Vol 21, Iss , Pp 101295- (2023)

مصطلحات موضوعية: Kohn–Sham Density Functional Theory, Electronic structure, Relativistic effects, Dispersion interactions, Meta-GGA functionals, Hybrid functionals, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711022002138; https://doaj.org/toc/2352-7110

URL الوصول: https://doaj.org/article/17ceec2452654b85b0b65e46ba7b6e89

المؤلفون: Chernyshev, V. A.^{Aff1, IDS0030400X21080051_cor1}, Glukhov, K. I., Agzamova, P. A.

المصدر: Optics and Spectroscopy. 129(10):1074-1083

المؤلفون: Chernyshev, V. A.^{Aff1, IDS1063783421070040_cor1}

المصدر: Physics of the Solid State. 63(6):953-967