𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Time-dependent density-functional theory simulation for electron–ion dynamics in molecules under intense laser pulses

✍ Scribed by Kawashita, Y; Nakatsukasa, T; Yabana, K

Book ID
127029283
Publisher
Institute of Physics
Year
2009
Tongue
English
Weight
334 KB
Volume
21
Category
Article
ISSN
0953-8984

No coin nor oath required. For personal study only.

📜 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 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 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