TDDFT and Quantum-Classical Dynamics: A Universal Tool Describing the Dynamics of Matter
(2018)
Book Chapter
Agostini, F., Curchod, B. F., Vuilleumier, R., Tavernelli, I., & Gross, E. (2018). TDDFT and Quantum-Classical Dynamics: A Universal Tool Describing the Dynamics of Matter. In W. Andreoni, & S. Yip (Eds.), Handbook of materials modeling : methods : theory and modeling (1-47). Springer Verlag. https://doi.org/10.1007/978-3-319-44677-6_43
Time-dependent density functional theory (TDDFT) is currently the most efficient approach allowing to describe electronic dynamics in complex systems, from isolated molecules to the condensed phase. TDDFT has been employed to investigate an extremely... Read More about TDDFT and Quantum-Classical Dynamics: A Universal Tool Describing the Dynamics of Matter.