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Towards efficient GW calculations using numerical atomic orbitals: benchmark and application to molecular dynamics simulations
Koval, Peter, Ljungberg, Mathias Per, Müller, Moritz, Sanchez-Portal, DanielLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00436
Date:
June, 2019
File:
PDF, 1.08 MB
english, 2019