This chapter is intended to identify some of the central concepts associated with excited state computation. So it is more like a “tutorial” rather than a review, with an emphasis on work carried out in the authors’ laboratories. The concepts we will discuss include gradients, conical intersections, and non-adiabatic dynamics, and are central to all the topics discussed in the specialist reviews that follow.
Olivucci, M., Robb, M.A. (2023). Basic Concepts of Electronic Excited States. In Manuel Yáñez, Russell J. Boyd (a cura di), Comprehensive Computational Chemistry (pp. 4-24). Elsevier [10.1016/b978-0-12-821978-2.00050-7].
Basic Concepts of Electronic Excited States
Olivucci, Massimo
;
2023-01-01
Abstract
This chapter is intended to identify some of the central concepts associated with excited state computation. So it is more like a “tutorial” rather than a review, with an emphasis on work carried out in the authors’ laboratories. The concepts we will discuss include gradients, conical intersections, and non-adiabatic dynamics, and are central to all the topics discussed in the specialist reviews that follow.
| File | Dimensione | Formato | |
|---|---|---|---|
|
Olivucci & Robb 2024.pdf
non disponibili
Descrizione: chapter
Tipologia:
PDF editoriale
Licenza:
NON PUBBLICO - Accesso privato/ristretto
Dimensione
2.16 MB
Formato
Adobe PDF
|
2.16 MB | Adobe PDF | Visualizza/Apri Richiedi una copia |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
https://hdl.handle.net/11365/1282114