Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation

Author:

Ahmadzadeh Karan1,Li Xin2,Rinkevicius Zilvinas13ORCID,Norman Patrick1ORCID,Zaleśny Robert4

Affiliation:

1. Division of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden

2. PDC Center for High Performance Computing, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden

3. Department of Physics, Faculty of Mathematics and Natural Sciences, Kaunas University of Technology, Kaunas LT-51368, Lithuania

4. Faculty of Chemistry, Wrocław University of Science and Technology, Wyb. Wyspiańskiego 27, PL-50370 Wrocław, Poland

Funder

Vetenskapsr?det

Narodowe Centrum Nauki

Swedish e-Science Research Centre

Publisher

American Chemical Society (ACS)

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