Development of computational methods for the simulation of vibrational and electronic spectra of medium-to-large sized molecular systems

Baiardi, Alberto

Development of computational methods for the simulation of vibrational and electronic spectra of medium-to-large sized molecular systems / Baiardi, Alberto; relatore: Barone, Vincenzo; Scuola Normale Superiore, 12-Jan-2018.

Development of computational methods for the simulation of vibrational and electronic spectra of medium-to-large sized molecular systems

Baiardi, Alberto

2018

Scheda breve

Scheda completa

Scheda completa (DC)

	Data di discussione
	
				12-gen-2018
			
	Settore Scientifico Disciplinare della tesi (validi fino a 24/06/2024)
	
				BIO/11 BIOLOGIA MOLECOLARE
CHIM/02 CHIMICA FISICA
			
	Corso PhD
	
				Scienze biologiche
			
	Parole chiave
	
				Biology
Chemistry
computational spectroscopy
Density Matrix Renormalization Group (DMRG) theory
medium-sized molecular systems
nuclear effects
Raman optical activity (RROA) spectra
Reaction Path Hamiltonian (RPH) theory
vibrational and vibro-electronic (vibronic) processes
			
	Editore
	
				Scuola Normale Superiore
			
	Relatore/i interno/i
	
				Barone, Vincenzo
Bloino, Julien Roland Michel
			
	Appare nelle tipologie:
	
				9.1 Tesi PhD

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