Abstract
Structures and dynamics of electronically excited states of molecules play a central role in our understanding and modeling of molecular photophysics and photochemistry. Given the enormous success of density functional based methods for molecular ground-state properties, it is desirable to have methods at our disposal for computing excited-state forces and other first-order properties in the framework of DFT.
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© 2012 Springer-Verlag Berlin Heidelberg
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Rappoport, D., Hutter, J. (2012). Excited-State Properties and Dynamics. In: Marques, M., Maitra, N., Nogueira, F., Gross, E., Rubio, A. (eds) Fundamentals of Time-Dependent Density Functional Theory. Lecture Notes in Physics, vol 837. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-23518-4_16
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DOI: https://doi.org/10.1007/978-3-642-23518-4_16
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