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Journal Articles

Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation

Antoine Marie, Pina Romaniello, Xavier Blase, Pierre-François Loos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 134105 (2025)
https://doi.org/10.1063/5.0250155
Published: April 2025
View articletitled, Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation
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Journal Articles

Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: Theory, implementation, and role of the Green’s function second-order exchange for intermolecular interactions

Pavel Pokhilko, Chia-Nan Yeh, Miguel A. Morales, Dominika Zgid
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 084108 (2024)
https://doi.org/10.1063/5.0215954
Published: August 2024
View articletitled, Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: Theory, implementation, and role of the Green’s function second-order exchange for intermolecular interactions
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Journal Articles

KeldyshQFT: A C++ codebase for real-frequency multiloop functional renormalization group and parquet computations of the single-impurity Anderson model

Nepomuk Ritz, Anxiang Ge, Elias Walter, Santiago Aguirre, Jan von Delft, Fabian B. Kugler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054118 (2024)
https://doi.org/10.1063/5.0221340
Published: August 2024
View articletitled, KeldyshQFT: A C++ codebase for real-frequency multiloop functional renormalization group and parquet computations of the single-impurity Anderson model
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Journal Articles

Many-body theory calculations of positronic-bonded molecular dianions

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J. P. Cassidy, J. Hofierka, B. Cunningham, D. G. Green
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084304 (2024)
https://doi.org/10.1063/5.0188719
Published: February 2024
View articletitled, Many-body theory calculations of positronic-bonded molecular dianions
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Journal Articles

Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels

Yannick Lemke, Christian Ochsenfeld
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 194104 (2023)
https://doi.org/10.1063/5.0173042
Published: November 2023
View articletitled, Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels
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Includes: Supplementary data
Journal Articles

The three channels of many-body perturbation theory: GW, particle–particle, and electron–hole T-matrix self-energies

Roberto Orlando, Pina Romaniello, Pierre-François Loos
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 184113 (2023)
https://doi.org/10.1063/5.0176898
Published: November 2023
View articletitled, The three channels of many-body perturbation theory: GW, particle–particle, and electron–hole T-matrix self-energies
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Includes: Supplementary data
Journal Articles

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
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 164107 (2023)
https://doi.org/10.1063/5.0168755
Published: October 2023
View articletitled, Many-body GW calculations with very large scale polarizable environments made affordable: A fully ab initio QM/QM approach
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Includes: Supplementary data
Journal Articles

Erratum: “Legendre-spectral Dyson equation solver with super-exponential convergence” [J. Chem. Phys. 152, 134107 (2020)]

Xinyang Dong, Dominika Zgid, Emanuel Gull, Hugo U. R. Strand
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 169902 (2022)
https://doi.org/10.1063/5.0127260
Published: October 2022
View articletitled, Erratum: “Legendre-spectral Dyson equation solver with super-exponential convergence” [J. Chem. Phys. 152, 134107 (2020)]
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Journal Articles

Iterative subspace algorithms for finite-temperature solution of Dyson equation

Pavel Pokhilko, Chia-Nan Yeh, Dominika Zgid
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 094101 (2022)
https://doi.org/10.1063/5.0082586
Published: March 2022
View articletitled, Iterative subspace algorithms for finite-temperature solution of Dyson equation
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Includes: Supplementary data
Journal Articles

A new generation of diagonal self-energies for the calculation of electron removal energies

Ernest Opoku, Filip Pawłowski, J. V. Ortiz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 204107 (2021)
https://doi.org/10.1063/5.0070849
Published: November 2021
View articletitled, A new generation of diagonal self-energies for the calculation of electron removal energies
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Includes: Supplementary data
Journal Articles

Optical properties of periodically driven open nonequilibrium quantum systems

Gabriel Cabra, Ignacio Franco, Michael Galperin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 094101 (2020)
https://doi.org/10.1063/1.5144779
Published: March 2020
View articletitled, Optical properties of periodically driven open nonequilibrium quantum systems
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Journal Articles

Schwinger-Dyson equations for composite electrolytes governed by mixed electrostatic couplings strengths

Sahin Buyukdagli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 014902 (2020)
https://doi.org/10.1063/1.5138936
Published: January 2020
View articletitled, Schwinger-Dyson equations for composite electrolytes governed by mixed electrostatic couplings strengths
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Journal Articles

Quantum impurity models coupled to Markovian and non-Markovian baths

Marco Schiro, Orazio Scarlatella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 044102 (2019)
https://doi.org/10.1063/1.5100157
Published: July 2019
View articletitled, Quantum impurity models coupled to Markovian and non-Markovian baths
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Includes: Supplementary data
Journal Articles

Electronic friction in interacting systems

Feng Chen, Kuniyuki Miwa, Michael Galperin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 174101 (2019)
https://doi.org/10.1063/1.5095425
Published: May 2019
View articletitled, Electronic friction in interacting systems
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Journal Articles

Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush

Jyoti P. Mahalik, Bobby G. Sumpter, Rajeev Kumar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 163334 (2018)
https://doi.org/10.1063/1.5037077
Published: August 2018
View articletitled, Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush
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Journal Articles

Non-adiabatic corrections to electric current in molecular junctions due to nuclear motion at the molecule-electrode interfaces

Vincent F. Kershaw, Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 044121 (2018)
https://doi.org/10.1063/1.5028333
Published: July 2018
View articletitled, Non-adiabatic corrections to electric current in molecular junctions due to nuclear motion at the molecule-electrode interfaces
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Journal Articles

On simulation of local fluxes in molecular junctions

Gabriel Cabra, Anders Jensen, Michael Galperin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 204103 (2018)
https://doi.org/10.1063/1.5029252
Published: May 2018
View articletitled, On simulation of local fluxes in molecular junctions
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Journal Articles

Effect of a magnetic field on molecule–solvent angular momentum transfer

Wojciech Rzadkowski, Mikhail Lemeshko
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 104307 (2018)
https://doi.org/10.1063/1.5017591
Published: March 2018
View articletitled, Effect of a magnetic field on molecule–solvent angular momentum transfer
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Journal Articles

Similarity-transformed equation-of-motion vibrational coupled-cluster theory

Jacob A. Faucheaux, Marcel Nooijen, So Hirata
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 054104 (2018)
https://doi.org/10.1063/1.5004151
Published: February 2018
View articletitled, Similarity-transformed equation-of-motion vibrational coupled-cluster theory
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Journal Articles

Analytical expression for the tunnel current through the redox-mediated tunneling contact in the case of the adiabatic electron transfer at one of the working electrodes and any possible type of the electron transfer at the other electrode

Igor G. Medvedev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 194108 (2017)
https://doi.org/10.1063/1.5011313
Published: November 2017
View articletitled, Analytical expression for the tunnel current through the redox-mediated tunneling contact in the case of the adiabatic electron transfer at one of the working electrodes and any possible type of the electron transfer at the other electrode
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