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Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy

  • Javier Segarra-Martí
  • Shaul Mukamel
  • Marco Garavelli
  • Artur Nenov
  • Ivan Rivalta
Chapter
Part of the Topics in Current Chemistry Collections book series (TCCC)

Abstract

We introduce the basic concepts of two-dimensional electronic spectroscopy (2DES) and a general theoretical framework adopted to calculate, from first principles, the nonlinear response of multi-chromophoric systems in realistic environments. Specifically, we focus on UV-active chromophores representing the building blocks of biological systems, from proteins to nucleic acids,

Keywords

Nonlinear electronic spectroscopy Theoretical simulations Wavefunction methods QM/MM computations DNA/RNA nucleobases Aromatic amino acids 

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Copyright information

© Springer Nature Switzerland AG 2019

Authors and Affiliations

  1. 1.Université de Lyon, École Normale Supérieure de Lyon, CNRSUniversité Claude Bernard Lyon 1LyonFrance
  2. 2.Department of ChemistryUniversity of CaliforniaIrvineUSA
  3. 3.Dipartimento di Chimica IndustrialeUniversità degli Studi di BolognaBolognaItaly

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