Filtering by: Subject time-dependent density functional theory Remove constraint Subject: time-dependent density functional theory
ArticleA non-self-consistent range-separated time-dependent density functional approach for large-scale simulationsLu, GangWe propose an efficient method for carrying out time-dependent density functional theory (TDDFT) calculations using range-separated hybrid exchange-correlation functionals. Based on a non-self-consistent range-separated Hamiltonian, the method affords . . .
ArticleZhang, XuFor metallic nanoparticles less than 10 nm in diameter, localized surface plasmon resonances (LSPRs) become sensitive to the quantum nature of conduction electrons. In this regime, experimental probes of size-dependent LSPRs are particularly challengi . . .