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Importance of electronic self-consistency in the TDDFT based treatment of nonadiabatic molecular dynamics

✍ Scribed by T. A. Niehaus; D. Heringer; B. Torralva; Th. Frauenheim

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Transport of an excess electron in molec

✍ V. Čápek 📂 Article 📅 1979 🏛 Springer 🌐 English ⚖ 397 KB

Method for the self-consistent descripti

✍ N. D. Naumov 📂 Article 📅 1997 🏛 Springer 🌐 English ⚖ 88 KB

[IRE 1979 International Electron Devices

✍ Drobot, A.T. 📂 Article 📅 1979 🏛 IRE ⚖ 268 KB

Nonadiabatic Molecular Dynamics Simulati

✍ Larsen, Ross E.; Schwartz, Benjamin J. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 158 KB

Attachment and ionization in a self-cons

✍ R. Winkler; M. Dilonardo; M. Capitelli; J. Wilhelm 📂 Article 📅 1987 🏛 Springer 🌐 English ⚖ 972 KB

A self-consistent treatment of electron

✍ Shi, Qiang; Geva, Eitan 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 434 KB