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Exact subsystem time-dependent density-functional theory.
Tölle J, Böckers M, Neugebauer J. Tölle J, et al. Among authors: neugebauer j. J Chem Phys. 2019 May 14;150(18):181101. doi: 10.1063/1.5097124. J Chem Phys. 2019. PMID: 31091916
In this communication, we show that coupled subsystem time-dependent density functional theory (subsystem TDDFT) [J. Neugebauer, J. Chem. Phys. 126, 134116 (2007)] in combination with projection-based embedding (PbE) is an exact subsystem theory in the sense …
In this communication, we show that coupled subsystem time-dependent density functional theory (subsystem TDDFT) [J. Neugebauer …
398 results