Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene-Reference-Cited by-同舟云学术

Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene

Published:2021-03-14 Issue:10 Volume:154 Page:104106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Aleotti Flavia¹^ORCID,Aranda Daniel²^ORCID,Yaghoubi Jouybari Martha²^ORCID,Garavelli Marco¹^ORCID,Nenov Artur¹^ORCID,Santoro Fabrizio²^ORCID

Affiliation:

1. Dipartimento di Chimica Industriale “Toso Montanari,” Università di Bologna, Viale del Risorgimento 4, 40136 Bologna, Italy

2. Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), Area della Ricerca del CNR, Via Moruzzi 1, I-56124 Pisa, Italy

Funder

European Union MSCA-ITN

Fundacion Ramon Areces

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0044693

Reference77 articles.

1. A comparison of different propagation schemes for the time dependent Schrödinger equation

2. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

3. Multidimensional Quantum Dynamics

4. Applications of Quantum Dynamics in Chemistry

5. Multilayer formulation of the multiconfiguration time-dependent Hartree theory

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