On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2).
(2023)
Journal Article
Taylor, J. T., Tozer, D. J., & Curchod, B. F. E. (2023). On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2). The Journal of Chemical Physics, 159(21), Article 214115. https://doi.org/10.1063/5.0176140
Conical intersections constitute the conceptual bedrock of our working understanding of ultrafast, nonadiabatic processes within photochemistry (and photophysics). Accurate calculation of potential energy surfaces within the vicinity of conical inter... Read More about On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2)..