Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids-Reference-Cited by-同舟云学术

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Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids

Published:2016-07-12 Issue:14 Volume:7 Page:2814-2820
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Li Jing¹,D’Avino Gabriele²,Duchemin Ivan³,Beljonne David²,Blase Xavier¹

Affiliation:

1. Grenoble Alpes University, CNRS, Institut NÉEL, F-38042 Grenoble, France

2. Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, BE-7000 Mons, Hainaut, Belgium

3. INAC, SP2M/L_Sim, CEA/UJF, Cedex 09, 38054 Grenoble, France

Funder

European Commission

Seventh Framework Programme

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b01302

Reference77 articles.

1. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

2. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

3. Polarization Energies in Oligoacene Semiconductor Crystals

4. Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

5. Molecular Insight Into the Energy Levels at the Organic Donor/Acceptor Interface: A Quantum Mechanics/Molecular Mechanics Study

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1. Polarizable Continuum Models and Green’s Function GW Formalism: On the Dynamics of the Solvent Electrons;Journal of Chemical Theory and Computation;2024-09-03

2. Quantum–Quantum and Quantum–Quantum-Classical Schemes for Near-Gap Excitations with Projection-Based-Embedded GW-Bethe–Salpeter Equation;Journal of Chemical Theory and Computation;2024-06-25

3. Efficient and Accurate Estimation of Electronic Polarization Energies for Organic Semiconductors: An Embedding Charge Quantum Mechanics/Continuum Dielectric Model;Journal of Chemical Theory and Computation;2024-06-13

4. Validation of the GreenX library time-frequency component for efficient GW and RPA calculations;Physical Review B;2024-06-03

5. Static versus dynamically polarizable environments within the many-body GW formalism;The Journal of Chemical Physics;2024-04-16

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