Cover Image

Stochastic Cluster Expansion for Excited State Energies

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Canestraight, Annabelle, Miller, Russell, Veis, Libor, Vlcek, Vojtech
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics Materials Science Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

A Stochastic Cluster Expansion for Electronic Correlation in Large Systems
by: Canestraight, Annabelle, et al.
Published: (2026)

Renormalization of States and Quasiparticles in Many-body Downfolding
by: Canestraight, Annabelle, et al.
Published: (2024)

Impact of Subsurface Oxygen on CO2 Charging Energy Changes in Cu Surfaces
by: Lei, Xiaohe, et al.
Published: (2024)

Quantum Chemical Density Matrix Renormalization Group Method Boosted by Machine Learning
by: Golub, Pavlo, et al.
Published: (2024)

Delocalization of Quasiparticle Moiré States in Twisted Bilayer hBN
by: Apelian, Arsineh, et al.
Published: (2024)

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

State-Specific Coupled-Cluster Methods for Excited States
by: Damour, Yann, et al.
Published: (2024)

Seniority and Hierarchy Configuration Interaction for Radicals and Excited States
by: Kossoski, Fábris, et al.
Published: (2023)

A Mountaineering Strategy to Excited States: Accurate Vertical Transition Energies and Benchmarks for Substituted Benzenes
by: Loos, Pierre-François, et al.
Published: (2024)

Learning Radical Excited States from Sparse Data
by: Shen, Jingkun, et al.
Published: (2024)

Quantifying the Role of Higher-Lying Excited States in Organic Emitters via Multistate Ab Initio Kinetic Modeling
by: He, Yue, et al.
Published: (2025)

Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks
by: Širůček, Jakub, et al.
Published: (2025)

Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians
by: Bauman, Nicholas, et al.
Published: (2024)

Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States
by: Mesto, Davide, et al.
Published: (2024)

Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces
by: Chen, Siqi, et al.
Published: (2024)

Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
by: O'Neill, Niamh, et al.
Published: (2025)

Energy Window Muffin Tin Orbitals (EWMTO) and Energy Window Linear Muffin Tin orbitals (EWLMTO) within the Atomic Sphere Approximation (ASA)
by: Goldstein, Garry
Published: (2024)

GW space-time method: Energy band-gap of solid hydrogen
by: Azadi, Sam, et al.
Published: (2020)

Interface-dependent Phase Transitions and Ultrafast Hydrogen Superionic Diffusion of H2O Ice
by: Hou, Pengfei, et al.
Published: (2026)

Ground-States for Metals from Converged Coupled Cluster Calculations
by: Schäfer, Tobias
Published: (2024)

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

Linear Scaling Calculation of Atomic Forces and Energies with Machine Learning Local Density Matrix
by: Xin, Zaizhou, et al.
Published: (2025)

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

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

Automated Prediction of Thermodynamic Properties via Bayesian Free-Energy Reconstruction from Molecular Dynamics
by: Spirande, Ekaterina, et al.
Published: (2025)

Symmetry- and Gradient-enhanced Gaussian Process Regression for the Active Learning of Potential Energy Surfaces in Porous Materials
by: Krondorfer, Johannes K., et al.
Published: (2025)

Extending Nonlocal Kinetic Energy Density Functionals to Isolated Systems via a Density-Functional-Dependent Kernel
by: Sun, Liang, et al.
Published: (2025)

Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B1s Binding Energies in Fluorinated $h$-BN Nanosheets
by: Xiao, Yang, et al.
Published: (2023)

Advanced Techniques for High-Performance Fock Matrix Construction on GPU Clusters
by: Palethorpe, Elise, et al.
Published: (2024)

Insights into Ionic Diffusion in C-S-H Gel Pore from Molecular Dynamics Simulations: Spatial Distributions, Energy Barriers, and Structural Descriptor
by: Chen, Weiqiang, et al.
Published: (2025)

Planar Structures of Medium-Sized Gold Clusters Become Ground States upon Ionization
by: Safa, Mohammad Ismaeil, et al.
Published: (2026)

Spectral/Spatial Tensor Atomic Cluster Expansion with Universal Embeddings in Cartesian Space
by: Xu, Zemin, et al.
Published: (2025)

Excited States of the Uniform Electron Gas
by: Loos, Pierre-François
Published: (2025)

Isotope Effects and the Negative Thermal Expansion Phenomena in Ice and Water
by: Min, B. I., et al.
Published: (2025)

Quantum Vibronic Effects on the Excitation Energies of the Nitrogen-Vacancy Center in Diamond
by: Kundu, Arpan, et al.
Published: (2024)

Exploiting the Variational Quantum Eigensolver for Determining Ground State Energy of Protocatechuic Acid
by: de Jesus, Gleydson Fernandes, et al.
Published: (2024)

Prediction of Superionic State in LiH2 at Conditions Enroute to Nuclear Fusion
by: Li, Fude, et al.
Published: (2024)

Multi-GPU RI-HF Energies and Analytic Gradients $-$ Towards High Throughput Ab Initio Molecular Dynamics
by: Stocks, Ryan, et al.
Published: (2024)

Super-Poissonian Squeezed Light in the Ground State of Strongly Coupled Light-matter Systems
by: Tasci, Cankut, et al.
Published: (2025)

The role of effective mass and long-range interactions in the band-gap renormalization of photo-excited semiconductors
by: Reeves, Cian C., et al.
Published: (2025)