Cover Image

LibppRPA: An Open-Source Library for Particle-Particle Random Phase Approximation

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Yu, Jincheng, Li, Jiachen, Zhang, Chaoqun, Zhu, Tianyu, Yang, Weitao
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation
by: Yu, Jincheng, et al.
Published: (2024)

Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
by: Li, Jiachen, et al.
Published: (2024)

Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations
by: Li, Jiachen, et al.
Published: (2024)

Derivative Discontinuity in Many-Body Perturbation Theory and Chemical Potentials in Random Phase Approximation
by: Li, Jiachen, et al.
Published: (2026)

Chemical Potentials and the One-Electron Hamiltonian of the Second-Order Perturbation Theory from the Functional Derivative Approach
by: Li, Jiachen, et al.
Published: (2024)

Eliminating Delocalization Error through Localized Orbital Scaling Correction with Orbital Relaxation from Linear Response
by: Fan, Yichen, et al.
Published: (2026)

Accurate Prediction of Core Level Binding Energies from Ground-State Density Functional Calculations: The Importance of Localization and Screening
by: Yu, Jincheng, et al.
Published: (2024)

Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
by: Li, Jiachen, et al.
Published: (2024)

Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory
by: Venturella, Christian, et al.
Published: (2026)

Efficient Random Phase Approximation for Diradicals
by: Shirazi, Reza G., et al.
Published: (2024)

Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
by: Hillenbrand, Christopher, et al.
Published: (2024)

Efficient Implementation of the Random Phase Approximation with Domain-based Local Pair Natural Orbitals
by: Liang, Yu Hsuan, et al.
Published: (2024)

Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
by: DePrince III, A. Eugene, et al.
Published: (2026)

Robust Tensor Hypercontraction of the Particle-Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory
by: Datar, Avdhoot, et al.
Published: (2023)

NepoIP/MM: Towards Accurate Biomolecular Simulation with a Machine Learning/Molecular Mechanics Model Incorporating Polarization Effects
by: Song, Ge, et al.
Published: (2025)

Occupancy Extrapolation: Reaching Many Excited Electronic States from Ground State Calculations
by: Fan, Yichen, et al.
Published: (2026)

Fractional Charges, Linear Conditions and Chemical Potentials for Excited States in $ΔSCF$ Theory
by: Yang, Weitao, et al.
Published: (2024)

Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
by: Yang, Weitao, et al.
Published: (2024)

Particle-Guided Diffusion for Gas-Phase Reaction Kinetics
by: Millard, Andrew, et al.
Published: (2026)

Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory
by: Shen, Yang, et al.
Published: (2026)

Velocity Gauge for Oscillator Strength in $Δ$SCF theory
by: Shen, Yang, et al.
Published: (2026)

Coarse-Graining in Quantum Mechanics: Distinguishable and Indistinguishable Particles
by: Sahrmann, Patrick G., et al.
Published: (2025)

PyGSC: A Python tool for correcting Kohn-Sham orbital energies by mitigating the delocalization error of density functional approximations
by: An, Zipeng, et al.
Published: (2026)

Theory of Moment Propagation for Quantum Dynamics in Single-Particle Description
by: Boyer, Nicholas, et al.
Published: (2024)

Predicting The One-Particle Density Matrix With Machine Learning
by: Hazra, S., et al.
Published: (2024)

Representability for Quantum Theory beyond Particle-Number Conservation
by: Mazziotti, David A.
Published: (2026)

Random Phase Approximation Correlation Energy using Real-Space Density Functional Perturbation Theory
by: Zhang, Boqin, et al.
Published: (2025)

Unphysical Solutions in Coupled-Cluster-Based Random Phase Approximation and How to Avoid Them
by: Song, Ruiheng, et al.
Published: (2025)

Computational Model for Predicting Particle Fracture During Electrode Calendering
by: Xu, Jiahui, et al.
Published: (2023)

Witnessing Entanglement in Mixed-Particle Quantum Systems
by: Avdic, Irma, et al.
Published: (2025)

Unified Deep Learning Framework for Many-Body Quantum Chemistry via Green's Functions
by: Venturella, Christian, et al.
Published: (2024)

Quasi-Particle Self-Consistent $GW$ for Molecules
by: Kaplan, F., et al.
Published: (2024)

Voltage Hysteresis of Silicon Nanoparticles: Chemo-Mechanical Particle-SEI Model
by: Köbbing, Lukas, et al.
Published: (2023)

Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening
by: Williams, Jacob Z., et al.
Published: (2024)

Double Electron Attachment and Double Ionization Potential Equation-of-Motion Coupled-Cluster Approaches with Full and Active-Space Treatments of 4-Particle-2-Hole and 4-Hole-2-Particle Excitations and Three-Body Clusters
by: Shen, Jun, et al.
Published: (2026)

Divergent Impact Charging of Polymer Particles
by: Jantač, Simon, et al.
Published: (2026)

A Windowed Mean Trajectory Approximation for Condensed Phase Dynamics
by: Polley, Kritanjan
Published: (2024)

Relativistic Two-Electron Contributions within Exact Two-Component Theory
by: Wang, Xubo, et al.
Published: (2025)

Direct Observation of Morphological and Chemical Changes During the Oxidation of Model Inorganic Ligand-Capped Particles
by: Jaugstetter, Maximilian, et al.
Published: (2024)

Open-Source Fermionic Neural Networks with Ionic Charge Initialization
by: Pranesh, Shai, et al.
Published: (2024)