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Journal Articles

Renormalization of states and quasiparticles in many-body downfolding

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Annabelle Canestraight, Zhen Huang, Lin Lin, Vojtech Vlcek
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 024114 (2025)
https://doi.org/10.1063/5.0276233
Published: July 2025
View article titled, Renormalization of states and quasiparticles in many-body downfolding
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Effect of electron–phonon interaction on thermoelectric properties of a DNA molecule

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J. H. Ojeda, Santanu K. Maiti, D. Laroze, Giuseppe Eramo, P. A. Orellana
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 244115 (2025)
https://doi.org/10.1063/5.0266771
Published: June 2025
View article titled, Effect of electron–phonon interaction on thermoelectric properties of a DNA molecule
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Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation

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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 article titled, Anomalous propagators and the particle–particle channel: Bethe–Salpeter equation
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Simulating anharmonic vibrational polaritons beyond the long wavelength approximation

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Dipti Jasrasaria, Arkajit Mandal, David R. Reichman, Timothy C. Berkelbach
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014109 (2025)
https://doi.org/10.1063/5.0235584
Published: January 2025
View article titled, Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
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Journal Articles

Series expansion of a scalable Hermitian excitonic renormalization method

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Marco Bauer, Andreas Dreuw, Anthony D. Dutoi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244111 (2024)
https://doi.org/10.1063/5.0238707
Published: December 2024
View article titled, Series expansion of a scalable Hermitian excitonic renormalization method
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Journal Articles

Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green’s functions

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Bo Peng, Himadri Pathak, Ajay Panyala, Fernando D. Vila, John J. Rehr, Karol Kowalski
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204102 (2024)
https://doi.org/10.1063/5.0233339
Published: November 2024
View article titled, Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green’s functions
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Critical adsorption of polyelectrolytes onto highly oppositely charged surfaces: Effects of charge renormalization

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Felipe Arantes Africo, Andrey G. Cherstvy, Sidney Jurado de Carvalho
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194905 (2024)
https://doi.org/10.1063/5.0238717
Published: November 2024
View article titled, Critical adsorption of polyelectrolytes onto highly oppositely charged surfaces: Effects of charge renormalization
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Journal Articles

General theory of cavity-mediated interactions between low-energy matter excitations

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Carlos J. Sánchez Martínez, Frieder Lindel, Francisco J. García-Vidal, Johannes Feist
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194303 (2024)
https://doi.org/10.1063/5.0231058
Published: November 2024
View article titled, General theory of cavity-mediated interactions between low-energy matter excitations
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Efficient random phase approximation for diradicals

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Reza G. Shirazi, Vladimir V. Rybkin, Michael Marthaler, Dmitry S. Golubev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 114110 (2024)
https://doi.org/10.1063/5.0227556
Published: September 2024
View article titled, Efficient random phase approximation for diradicals
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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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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 article titled, 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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KeldyshQFT: A C++ codebase for real-frequency multiloop functional renormalization group and parquet computations of the single-impurity Anderson model

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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 article titled, 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

Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange

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Jeongmin Kim, Benjamin Rotenberg
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054107 (2024)
https://doi.org/10.1063/5.0220913
Published: August 2024
View article titled, Donnan equilibrium in charged slit-pores from a hybrid nonequilibrium molecular dynamics/Monte Carlo method with ions and solvent exchange
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Journal Articles

Quantum decoherence dynamics in stochastically fluctuating environments

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Xiangji Cai, Yanyan Feng, Jing Ren, Yonggang Peng, Yujun Zheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044106 (2024)
https://doi.org/10.1063/5.0217863
Published: July 2024
View article titled, Quantum decoherence dynamics in stochastically fluctuating environments
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Theory of thermoreversible gelation and anomalous concentration fluctuations in polyzwitterion solutions

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Siao-Fong Li, Murugappan Muthukumar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024903 (2024)
https://doi.org/10.1063/5.0216981
Published: July 2024
View article titled, Theory of thermoreversible gelation and anomalous concentration fluctuations in polyzwitterion solutions
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Journal Articles

QED corrections to the correlated relativistic energy: One-photon processes

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Ádám Margócsy, Edit Mátyus
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 204103 (2024)
https://doi.org/10.1063/5.0193250
Published: May 2024
View article titled, QED corrections to the correlated relativistic energy: One-photon processes
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Effects of Pd atom vibration in the Sr–Te octahedral interstitial space in Zintl compound SrPdTe on lattice anharmonicity and thermoelectric properties

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Yue Wang, Yinchang Zhao, Sheng Meng, Jun Ni, Zhenhong Dai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 054108 (2024)
https://doi.org/10.1063/5.0185762
Published: February 2024
View article titled, Effects of Pd atom vibration in the Sr–Te octahedral interstitial space in Zintl compound SrPdTe on lattice anharmonicity and thermoelectric properties
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Includes: Supplementary data
Journal Articles

Renormalized one-loop theory of correlations in disperse polymer blends

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P. M. Rauscher
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 244906 (2023)
https://doi.org/10.1063/5.0183860
Published: December 2023
View article titled, Renormalized one-loop theory of correlations in disperse polymer blends
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Effective interactions, structure, and pressure in charge-stabilized colloidal suspensions: Critical assessment of charge renormalization methods

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Mariano E. Brito, Gerhard Nägele, Alan R. Denton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 204904 (2023)
https://doi.org/10.1063/5.0180914
Published: November 2023
View article titled, Effective interactions, structure, and pressure in charge-stabilized colloidal suspensions: Critical assessment of charge renormalization methods
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Journal Articles

A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies

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Ernest Opoku, Filip Pawłowski, J. V. Ortiz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 124109 (2023)
https://doi.org/10.1063/5.0168779
Published: September 2023
View article titled, A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies
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Includes: Supplementary data
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Theory of all-coupling angulon for molecules rotating in many-body environment

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Yi-Yan Liu, Yu Cui, Xiao-Zhe Zhang, Ran-Bo Yang, Zhi-Qing Li, Zi-Wu Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 114305 (2023)
https://doi.org/10.1063/5.0162004
Published: September 2023
View article titled, Theory of all-coupling angulon for molecules rotating in many-body environment
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