Publications by authors named "Xavier Blase"

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Optical spectra of small silver clusters with the Bethe-Salpeter formalism: A reassessment.
Xavier Blase, Ivan Duchemin

J Chem Phys· November 2025

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Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation.
Antoine Marie, Pina Romaniello, Xavier Blase, Pierre-François Loos

J Chem Phys· April 2025

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Joint approximate diagonalization approach to quasiparticle self-consistent GW calculations.
Ivan Duchemin, Xavier Blase

J Chem Phys· February 2025

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Polarizable Continuum Models and Green's Function Formalism: On the Dynamics of the Solvent Electrons.
Ivan Duchemin, David Amblard, Xavier Blase

J Chem Theory Comput· October 2024

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From Many-Body to Effective Excitonic Models: A Versatile Mapping Approach Including Environmental Embedding Effects.
Mauricio Rodriguez-Mayorga, Xavier Blase, Ivan Duchemin, Gabriele D'Avino

J Chem Theory Comput· October 2024

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Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/, and Wave Function Methods.
Iryna Knysh, Filippo Lipparini, Aymeric Blondel, Ivan Duchemin, Xavier Blase

J Chem Theory Comput· September 2024

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Assessing the accuracy of TD-DFT excited-state geometries through optimal tuning with GW energy levels.
Iryna Knysh, Denez Raimbault, Ivan Duchemin, Xavier Blase, Denis Jacquemin

J Chem Phys· April 2024

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Author Correction: Disentangling the multiorbital contributions of excitons by photoemission exciton tomography.
Wiebke Bennecke, Andreas Windischbacher, David Schmitt, Jan Philipp Bange, Ralf Hemm, Xavier Blase

Nat Commun· April 2024

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Static versus dynamically polarizable environments within the many-body GW formalism.
David Amblard, Xavier Blase, Ivan Duchemin

J Chem Phys· April 2024

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Disentangling the multiorbital contributions of excitons by photoemission exciton tomography.
Wiebke Bennecke, Andreas Windischbacher, David Schmitt, Jan Philipp Bange, Ralf Hemm, Xavier Blase

Nat Commun· February 2024

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Excess and excited-state dipole moments of real-life dyes: a comparison between wave-function, BSE/, and TD-DFT values.
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, Xavier Blase, Denis Jacquemin

Phys Chem Chem Phys· November 2023

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Many-body GW calculations with very large scale polarizable environments made affordable: A fully ab initio QM/QM approach.
David Amblard, Xavier Blase, Ivan Duchemin

J Chem Phys· October 2023

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Lagrangian Z-vector approach to Bethe-Salpeter analytic gradients: Assessing approximations.
J Villalobos-Castro, Iryna Knysh, Denis Jacquemin, Ivan Duchemin, Xavier Blase

J Chem Phys· July 2023

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Correction to "Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers".
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, Xavier Blase, Denis Jacquemin

J Phys Chem Lett· June 2023

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Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers.
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, Xavier Blase, Denis Jacquemin

J Phys Chem Lett· April 2023

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Excited state potential energy surfaces of -phenylpyrrole upon twisting: reference values and comparison between BSE/ and TD-DFT.
Iryna Knysh, Kelvine Letellier, Ivan Duchemin, Xavier Blase, Denis Jacquemin

Phys Chem Chem Phys· March 2023

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Modeling of excited state potential energy surfaces with the Bethe-Salpeter equation formalism: The 4-(dimethylamino)benzonitrile twist.
Iryna Knysh, Ivan Duchemin, Xavier Blase, Denis Jacquemin

J Chem Phys· November 2022

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Doping-Induced Dielectric Catastrophe Prompts Free-Carrier Release in Organic Semiconductors.
Massimiliano Comin, Simone Fratini, Xavier Blase, Gabriele D'Avino

Adv Mater· January 2022

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Reference Energies for Intramolecular Charge-Transfer Excitations.
Pierre-François Loos, Massimiliano Comin, Xavier Blase, Denis Jacquemin

J Chem Theory Comput· June 2021

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Cubic-Scaling All-Electron Calculations with a Separable Density-Fitting Space-Time Approach.
Ivan Duchemin, Xavier Blase

J Chem Theory Comput· April 2021

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Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study.
Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, Roberta Poloni

J Phys Chem Lett· April 2021

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The Bethe-Salpeter Equation Formalism: From Physics to Chemistry.
Xavier Blase, Ivan Duchemin, Denis Jacquemin, Pierre-François Loos

J Phys Chem Lett· September 2020

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Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells.
Yifan Dong, Vasileios C Nikolis, Felix Talnack, Yi-Chun Chin, Johannes Benduhn, Xavier Blase

Nat Commun· September 2020

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Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation.
Pierre-François Loos, Xavier Blase

J Chem Phys· September 2020

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Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies.
Pierre-François Loos, Anthony Scemama, Ivan Duchemin, Denis Jacquemin, Xavier Blase

J Phys Chem Lett· May 2020

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