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Journal Articles

Fundamental bounds on many-body spin cluster intensities

Open Access
Christian Bengs, Chongwei Zhang, Ashok Ajoy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 214108 (2025)
https://doi.org/10.1063/5.0252743
Published: June 2025
View articletitled, Fundamental bounds on many-body spin cluster intensities
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Journal Articles

Many-body approach to projective solution of generalized operators: Formulation and application to quantum computing

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Dibyendu Mondal, Chayan Patra, Dipanjali Halder, Rahul Maitra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164105 (2025)
https://doi.org/10.1063/5.0258899
Published: April 2025
View articletitled, Many-body approach to projective solution of generalized operators: Formulation and application to quantum computing
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Journal Articles

The structure and symmetry of modular state space for complex quantum systems

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Guohua Tao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114108 (2025)
https://doi.org/10.1063/5.0245447
Published: March 2025
View articletitled, The structure and symmetry of modular state space for complex quantum systems
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Journal Articles

Open quantum dynamics with variational non-Gaussian states and the truncated Wigner approximation

Open Access
Liam J. Bond, Bas Gerritsen, Jiří Minář, Jeremy T. Young, Johannes Schachenmayer, Arghavan Safavi-Naini
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184113 (2024)
https://doi.org/10.1063/5.0226268
Published: November 2024
View articletitled, Open quantum dynamics with variational non-Gaussian states and the truncated Wigner approximation
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Journal Articles

Properties of a trapped multiple-species bosonic mixture at the infinite-particle-number limit: A solvable model

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O. E. Alon, L. S. Cederbaum
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184307 (2024)
https://doi.org/10.1063/5.0238967
Published: November 2024
View articletitled, Properties of a trapped multiple-species bosonic mixture at the infinite-particle-number limit: A solvable model
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Journal Articles

Nonequilibrium steady state full counting statistics in the noncrossing approximation

Open Access
Ido Zemach, André Erpenbeck, Emanuel Gull, Guy Cohen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164113 (2024)
https://doi.org/10.1063/5.0233876
Published: October 2024
View articletitled, Nonequilibrium steady state full counting statistics in the noncrossing approximation
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Journal Articles

Quantum neural network approach to Markovian dissipative dynamics of many-body open quantum systems

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Cun Long, Long Cao, Liwei Ge, Qun-Xiang Li, YiJing Yan, Rui-Xue Xu, Yao Wang, Xiao Zheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 084105 (2024)
https://doi.org/10.1063/5.0220357
Published: August 2024
View articletitled, Quantum neural network approach to Markovian dissipative dynamics of many-body open quantum systems
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Journal Articles

Exactly solvable Hamiltonian fragments obtained from a direct sum of Lie algebras

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Smik Patel, Artur F. Izmaylov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 194107 (2024)
https://doi.org/10.1063/5.0207195
Published: May 2024
View articletitled, Exactly solvable Hamiltonian fragments obtained from a direct sum of Lie algebras
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Journal Articles

Development of zero-noise extrapolated projective quantum algorithm for accurate evaluation of molecular energetics in noisy quantum devices

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Sonaldeep Halder, Chinmay Shrikhande, Rahul Maitra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 114115 (2023)
https://doi.org/10.1063/5.0166433
Published: September 2023
View articletitled, Development of zero-noise extrapolated projective quantum algorithm for accurate evaluation of molecular energetics in noisy quantum devices
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Includes: Supplementary data
Journal Articles

PyQMC : An all-Python real-space quantum Monte Carlo module in PySCF

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William A. Wheeler, Shivesh Pathak, Kevin G. Kleiner, Shunyue Yuan, João N. B. Rodrigues, Cooper Lorsung, Kittithat Krongchon, Yueqing Chang, Yiqing Zhou, Brian Busemeyer, Kiel T. Williams, Alexander Muñoz, Chun Yu Chow, Lucas K. Wagner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 114801 (2023)
https://doi.org/10.1063/5.0139024
Published: March 2023
View articletitled, PyQMC : An all-Python real-space quantum Monte Carlo module in PySCF
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Includes: Supplementary data
Journal Articles

Fermionic-propagator and alternating-basis quantum Monte Carlo methods for correlated electrons on a lattice

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Veljko Janković, Jakša Vučičević
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 044108 (2023)
https://doi.org/10.1063/5.0133597
Published: January 2023
View articletitled, Fermionic-propagator and alternating-basis quantum Monte Carlo methods for correlated electrons on a lattice
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Includes: Supplementary data
Journal Articles

Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations

Open Access
Tobias Dornheim, Panagiotis Tolias, Zhandos A. Moldabekov, Attila Cangi, Jan Vorberger
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 244113 (2022)
https://doi.org/10.1063/5.0097768
Published: June 2022
View articletitled, Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
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Journal Articles

Simulation of adiabatic quantum computing for molecular ground states

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Vladimir Kremenetski, Carlos Mejuto-Zaera, Stephen J. Cotton, Norm M. Tubman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 234106 (2021)
https://doi.org/10.1063/5.0060124
Published: December 2021
View articletitled, Simulation of adiabatic quantum computing for molecular ground states
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Includes: Supplementary data
Journal Articles

Legendre-spectral Dyson equation solver with super-exponential convergence

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Xinyang Dong, Dominika Zgid, Emanuel Gull, Hugo U. R. Strand
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 134107 (2020)
https://doi.org/10.1063/5.0003145
Published: April 2020
View articletitled, Legendre-spectral Dyson equation solver with super-exponential convergence
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Journal Articles

Matrix material structure dependence of the embedded electron spin decoherence

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Jiangyang You, Dejana Carić, Boris Rakvin, Zoran Štefanić, Krunoslav Užarević, Marina Kveder
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 164124 (2019)
https://doi.org/10.1063/1.5090215
Published: April 2019
View articletitled, Matrix material structure dependence of the embedded electron spin decoherence
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Includes: Supplementary data
Journal Articles

Non-equilibrium Green’s function theory for non-adiabatic effects in quantum transport: Inclusion of electron-electron interactions

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Vincent F. Kershaw, Daniel S. Kosov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 074101 (2019)
https://doi.org/10.1063/1.5058735
Published: February 2019
View articletitled, Non-equilibrium Green’s function theory for non-adiabatic effects in quantum transport: Inclusion of electron-electron interactions
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Journal Articles

Power functional theory for Newtonian many-body dynamics

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Matthias Schmidt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 044502 (2018)
https://doi.org/10.1063/1.5008608
Published: January 2018
View articletitled, Power functional theory for Newtonian many-body dynamics
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Journal Articles

Characteristic features of the Shannon information entropy of dipolar Bose-Einstein condensates

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Thangarasu Sriraman, Barnali Chakrabarti, Andrea Trombettoni, Paulsamy Muruganandam
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 044304 (2017)
https://doi.org/10.1063/1.4994922
Published: July 2017
View articletitled, Characteristic features of the Shannon information entropy of dipolar Bose-Einstein condensates
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Journal Articles

Quantum power functional theory for many-body dynamics

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Matthias Schmidt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 174108 (2015)
https://doi.org/10.1063/1.4934881
Published: November 2015
View articletitled, Quantum power functional theory for many-body dynamics
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Journal Articles

A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates

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Motoyuki Shiga, Hiroshi Fujisaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 184103 (2012)
https://doi.org/10.1063/1.4709723
Published: May 2012
View articletitled, A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates
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