Real-time TDDFT
Real-Time Time-Dependent Electronic Structure Theory
X. Li, N. Govind, C. Isborn, A. E. DePrince, K. Lopata
Cover illustration — J. W. May
Chemical Reviews 2020, 120, 9951–9993
Real-time electronic structure theory propagates the electronic wavefunction directly in time, letting you watch electron dynamics and ultrafast spectroscopy unfold on attosecond-to-femtosecond timescales. This review was led by my PhD advisor, Xiaosong Li; the luminous script wrapping the molecule is the time-dependent Schrödinger equation those methods integrate.
Real-time dynamics is the method my own dissertation ran, so putting it on a cover was a full-circle moment. The piece was chosen as a runner-up cover for the issue and rides along in its cover gallery.