Identifying Electronic Modes by Fourier Transform from δ-Kick Time-Evolution TDDFT Calculations.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00750
Abstract: Time-dependent density-functional theory (TDDFT) is widely used for calculating electron excitations in clusters and large molecules. For optical excitations, TDDFT is customarily applied in two distinct approaches: transition-based linear-response TDDFT (LR-TDDFT) and the real-time formalism… read more here.
Keywords: time evolution; time; tddft calculations; fourier transform ... See more keywords