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Theoretical studies on electronic spectroscopy and dynamics with the real-time time-dependent density functional theory

✍ Scribed by Jie Liu; Zhenyu Guo; Jin Sun; Wanzhen Liang

Book ID
107373731
Publisher
Higher Education Press and Springer
Year
2010
Tongue
English
Weight
664 KB
Volume
5
Category
Article
ISSN
1673-3495

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πŸ“œ SIMILAR VOLUMES

Femtosecond electron-ion dynamics in exc
Femtosecond electron-ion dynamics in excited nano-materials: Real-time propagation based on the time-dependent density functional theory
✍ Miyamoto, Yoshiyuki πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 325 KB

## Abstract In this article, I describe a method to perform molecular dynamics simulation under electronic excitation within a framework of the time‐dependent density functional theory and the Ehrenfest approximation. I present computational procedure and its application to carrier dynamics in carb