Saved in:
| Main Authors: | Moraes, Matheus M. F., Thompson, Lee M. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2509.25436 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory
by: Szenes, Kalman, et al.
Published: (2025)
by: Szenes, Kalman, et al.
Published: (2025)
Renormalized Internally-Contracted Multireference Coupled Cluster with Perturbative Triples
by: Feldmann, Robin, et al.
Published: (2024)
by: Feldmann, Robin, et al.
Published: (2024)
Multireference Perturbation Theories Based on the Dyall Hamiltonian
by: Sokolov, Alexander Yu.
Published: (2024)
by: Sokolov, Alexander Yu.
Published: (2024)
Time-Dependent Coupled-Cluster Theory of Multireference Systems
by: Mosquera, Martín A.
Published: (2025)
by: Mosquera, Martín A.
Published: (2025)
UGA-SSMRPT2 -- A Multireference Perturbation Theory Predicting Accurate Electronic Excitation Energies in Diverse Molecular Systems
by: Chanda, Shamik, et al.
Published: (2026)
by: Chanda, Shamik, et al.
Published: (2026)
Transcorrelated Methods for Multireference Problems
by: Haupt, J. Philip, et al.
Published: (2025)
by: Haupt, J. Philip, et al.
Published: (2025)
Core-Excited States and X-Ray Absorption Spectra From Multireference Algebraic Diagrammatic Construction Theory
by: Mazin, Ilia M., et al.
Published: (2023)
by: Mazin, Ilia M., et al.
Published: (2023)
First-Order Symmetry-Adapted Perturbation Theory with Double Exchange for Multireference Systems
by: Cieśliński, Dominik, et al.
Published: (2025)
by: Cieśliński, Dominik, et al.
Published: (2025)
One-Step Relativistic Driven Similarity Renormalization Group Multireference Perturbation Theory
by: Zhao, Zijun, et al.
Published: (2026)
by: Zhao, Zijun, et al.
Published: (2026)
Weighted Active Space Protocol for Multireference Machine-Learned Potentials
by: Seal, Aniruddha, et al.
Published: (2025)
by: Seal, Aniruddha, et al.
Published: (2025)
Understanding Discrepancies of Wavefunction Theories for Large Molecules
by: Schäfer, Tobias, et al.
Published: (2024)
by: Schäfer, Tobias, et al.
Published: (2024)
Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation
by: Chakraborty, Rahul, et al.
Published: (2024)
by: Chakraborty, Rahul, et al.
Published: (2024)
Generalised Nonorthogonal Matrix Elements: Unifying Wick's Theorem and the Slater-Condon Rules
by: Burton, Hugh G. A.
Published: (2021)
by: Burton, Hugh G. A.
Published: (2021)
Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
by: Evangelista, Francesco A., et al.
Published: (2024)
by: Evangelista, Francesco A., et al.
Published: (2024)
Enhancing Accuracy of Quantum-Selected Configuration Interaction Calculations using Multireference Perturbation Theory: Application to Aromatic Molecules
by: Shirai, Soichi, et al.
Published: (2025)
by: Shirai, Soichi, et al.
Published: (2025)
Singlet Geminal Wavefunctions
by: Johnson, Paul A., et al.
Published: (2024)
by: Johnson, Paul A., et al.
Published: (2024)
Spin-Adapted Neural Network Wavefunctions in Real Space
by: Li, Ruichen, et al.
Published: (2025)
by: Li, Ruichen, et al.
Published: (2025)
Application of Correlated-Wavefunction and Density-Functional Theories to Endofullerenes: A Cautionary Tale
by: Panchagnula, K., et al.
Published: (2025)
by: Panchagnula, K., et al.
Published: (2025)
Machine Learning Wavefunction
by: Battaglia, Stefano
Published: (2022)
by: Battaglia, Stefano
Published: (2022)
Computing Hydrogen Tunneling Splittings with Nuclear-Electronic Orbital Multireference Configuration Interaction
by: Stein, Rachel J., et al.
Published: (2025)
by: Stein, Rachel J., et al.
Published: (2025)
Changing the paradigm in f-containing cold molecules: the impact of spin-orbit coupling and f-d transitions on quasi-bound vibrational states
by: Gałyńska, Marta, et al.
Published: (2024)
by: Gałyńska, Marta, et al.
Published: (2024)
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-Ray Photoelectron Spectra
by: de Moura, Carlos E. V., et al.
Published: (2024)
by: de Moura, Carlos E. V., et al.
Published: (2024)
Simulating Transient X-ray Photoelectron Spectra of Fe(CO)5 and Its Photodissociation Products With Multireference Algebraic Diagrammatic Construction Theory
by: Gaba, Nicholas P., et al.
Published: (2024)
by: Gaba, Nicholas P., et al.
Published: (2024)
Multireference error mitigation for quantum computation of chemistry
by: Zou, Hang, et al.
Published: (2025)
by: Zou, Hang, et al.
Published: (2025)
Multireference equation-of-motion driven similarity renormalization group for X-ray photoelectron spectra
by: Li, Shuhang, et al.
Published: (2025)
by: Li, Shuhang, et al.
Published: (2025)
Neural Wavefunction Calculations of μSR Spectra with Quantum Muons and Protons
by: Carr, Jamie, et al.
Published: (2026)
by: Carr, Jamie, et al.
Published: (2026)
Multireference equation-of-motion driven similarity renormalization group: theoretical foundations and applications to ionized states
by: Zhao, Zijun, et al.
Published: (2025)
by: Zhao, Zijun, et al.
Published: (2025)
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
by: Verma, Shreya, et al.
Published: (2025)
by: Verma, Shreya, et al.
Published: (2025)
Can $GW$ Handle Multireference Systems?
by: Ammar, Abdallah, et al.
Published: (2024)
by: Ammar, Abdallah, et al.
Published: (2024)
Performance of Automatic Active Space Selection for Electronic Excitation Energies
by: Shirazi, Reza G., et al.
Published: (2025)
by: Shirazi, Reza G., et al.
Published: (2025)
Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory
by: Zhang, Xuan, et al.
Published: (2026)
by: Zhang, Xuan, et al.
Published: (2026)
Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions
by: Jiang, Tong, et al.
Published: (2024)
by: Jiang, Tong, et al.
Published: (2024)
Compactifying Electronic Wavefunctions I: Error-Mitigated Transcorrelated DMRG
by: Araújo, Bruna G. M., et al.
Published: (2025)
by: Araújo, Bruna G. M., et al.
Published: (2025)
Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion-Pairing
by: Bian, Xuezhi, et al.
Published: (2026)
by: Bian, Xuezhi, et al.
Published: (2026)
Stochastic Representation of Time-Evolving Neural Network-based Wavefunctions
by: Huang, Bizi, et al.
Published: (2025)
by: Huang, Bizi, et al.
Published: (2025)
QMCTorch: Molecular Wavefunctions with Neural Components for Energy and Force Calculations
by: Renaud, Nicolas
Published: (2025)
by: Renaud, Nicolas
Published: (2025)
Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
by: Malbon, Christopher L., et al.
Published: (2025)
by: Malbon, Christopher L., et al.
Published: (2025)
Bounds on a Wavefunction Overlap with Hamiltonian Eigen-states: Performance Guarantees for the Quantum Phase Estimation Algorithm
by: Lin, Junan, et al.
Published: (2025)
by: Lin, Junan, et al.
Published: (2025)
MetaWave: A Platform for Unified Implementation of Nonrelativistic and Relativistic Wavefunctions
by: Zhang, Ning, et al.
Published: (2025)
by: Zhang, Ning, et al.
Published: (2025)
Delving into the Catalytic Mechanism of Molybdenum Cofactors: A Novel Coupled Cluster Study
by: Gałyńska, Marta, et al.
Published: (2024)
by: Gałyńska, Marta, et al.
Published: (2024)
Similar Items
-
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory
by: Szenes, Kalman, et al.
Published: (2025) -
Renormalized Internally-Contracted Multireference Coupled Cluster with Perturbative Triples
by: Feldmann, Robin, et al.
Published: (2024) -
Multireference Perturbation Theories Based on the Dyall Hamiltonian
by: Sokolov, Alexander Yu.
Published: (2024) -
Time-Dependent Coupled-Cluster Theory of Multireference Systems
by: Mosquera, Martín A.
Published: (2025) -
UGA-SSMRPT2 -- A Multireference Perturbation Theory Predicting Accurate Electronic Excitation Energies in Diverse Molecular Systems
by: Chanda, Shamik, et al.
Published: (2026)