Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model

Author:

Zen Andrea12,Coccia Emanuele34,Gozem Samer5,Olivucci Massimo56,Guidoni Leonardo3

Affiliation:

1. Dipartimento di Fisica, Sapienza-Università di Roma, Piazzale Aldo Moro 5, 00185 Rome, Italy

2. London Centre for Nanotechnology, University College London, London WC1E 6BT, United Kingdom

3. Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’Aquila, Via Vetoio 2, 67010 L’Aquila, Italy

4. UPMC Univ Paris 06 & CNRS, UMR 7616, Laboratoire de Chimie Théorique, Sorbonne Universités, F-75005 Paris, France

5. Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States

6. Dipartimento di Chimica, Universitá di Siena, via De Gasperi 2, I-53100 Siena, Italy

Funder

Division of Chemistry

European Commission Directorate-General for Research and Innovation

European Research Council

Human Frontier Science Program

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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