Guardado en:
| Autores principales: | Calero-Osorio, Daniel F., Ayers, Paul W. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2509.19085 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Seniority-zero Quadratic Canonical Transformation Theory
por: Calero-Osorio, Daniel F., et al.
Publicado: (2026)
por: Calero-Osorio, Daniel F., et al.
Publicado: (2026)
Seniority-Zero Canonical Transformation Theory: Reducing Truncation Error with Late Truncation
por: Calero-Osorio, Daniel F., et al.
Publicado: (2025)
por: Calero-Osorio, Daniel F., et al.
Publicado: (2025)
Foundation for the ΔSCF Approach in Density Functional Theory
por: Yang, Weitao, et al.
Publicado: (2024)
por: Yang, Weitao, et al.
Publicado: (2024)
Quantum Seniority-based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem
por: Patel, Smik, et al.
Publicado: (2025)
por: Patel, Smik, et al.
Publicado: (2025)
Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
por: Wang, Ruisi, et al.
Publicado: (2025)
por: Wang, Ruisi, et al.
Publicado: (2025)
A new family of seniority-restricted coupled cluster methods
por: Miranda-Quintana, Ramón Alain, et al.
Publicado: (2025)
por: Miranda-Quintana, Ramón Alain, et al.
Publicado: (2025)
Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry
por: Ni, Anton Z., et al.
Publicado: (2025)
por: Ni, Anton Z., et al.
Publicado: (2025)
Diagrammatic Simplification of Linearized Coupled Cluster Theory
por: Carter-Fenk, Kevin
Publicado: (2025)
por: Carter-Fenk, Kevin
Publicado: (2025)
Richardson-Gaudin states of non-zero seniority II: Single-reference treatment of strong correlation
por: Johnson, Paul A.
Publicado: (2025)
por: Johnson, Paul A.
Publicado: (2025)
Canonized then Minimized RMSD for Three-Dimensional Structures
por: Li, Jie, et al.
Publicado: (2024)
por: Li, Jie, et al.
Publicado: (2024)
Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory
por: Konecny, Lukas, et al.
Publicado: (2024)
por: Konecny, Lukas, et al.
Publicado: (2024)
Stability of Quantum Systems beyond Canonical Typicality
por: Su, Yu, et al.
Publicado: (2024)
por: Su, Yu, et al.
Publicado: (2024)
Singlet Geminal Wavefunctions
por: Johnson, Paul A., et al.
Publicado: (2024)
por: Johnson, Paul A., et al.
Publicado: (2024)
Seniority and Hierarchy Configuration Interaction for Radicals and Excited States
por: Kossoski, Fábris, et al.
Publicado: (2023)
por: Kossoski, Fábris, et al.
Publicado: (2023)
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
por: Hennefarth, Matthew R., et al.
Publicado: (2024)
por: Hennefarth, Matthew R., et al.
Publicado: (2024)
Fractional Charges, Linear Conditions and Chemical Potentials for Excited States in $ΔSCF$ Theory
por: Yang, Weitao, et al.
Publicado: (2024)
por: Yang, Weitao, et al.
Publicado: (2024)
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
por: Hennefarth, Matthew R., et al.
Publicado: (2024)
por: Hennefarth, Matthew R., et al.
Publicado: (2024)
Richardson-Gaudin states of non-zero seniority I: matrix elements
por: Johnson, Paul A.
Publicado: (2025)
por: Johnson, Paul A.
Publicado: (2025)
Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
por: Johnson, Paul A.
Publicado: (2026)
por: Johnson, Paul A.
Publicado: (2026)
Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
por: Pols, Mike, et al.
Publicado: (2025)
por: Pols, Mike, et al.
Publicado: (2025)
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
por: Tezak, Cooper, et al.
Publicado: (2024)
por: Tezak, Cooper, et al.
Publicado: (2024)
Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians
por: Konecny, Lukas, et al.
Publicado: (2025)
por: Konecny, Lukas, et al.
Publicado: (2025)
An optical centrifuge with zero rotational acceleration
por: Wang, K., et al.
Publicado: (2025)
por: Wang, K., et al.
Publicado: (2025)
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
por: Yuan, Xiang, et al.
Publicado: (2023)
por: Yuan, Xiang, et al.
Publicado: (2023)
Transcorrelated Theory with Pseudopotentials
por: Simula, Kristoffer, et al.
Publicado: (2024)
por: Simula, Kristoffer, et al.
Publicado: (2024)
A Molecular Density Functional Theory of aqueous electrolytic solution
por: Jeanmairet, Guillaume, et al.
Publicado: (2025)
por: Jeanmairet, Guillaume, et al.
Publicado: (2025)
From Canonical to Complex: Benchmarking LLM Capabilities in Undergraduate Thermodynamics
por: Geißler, Anna, et al.
Publicado: (2025)
por: Geißler, Anna, et al.
Publicado: (2025)
"Gold-Standard" $Δ$-Machine Learned and Transferable Potential for Linear Alkanes
por: Qu, Chen, et al.
Publicado: (2025)
por: Qu, Chen, et al.
Publicado: (2025)
Theory of vibronic adsorbate-surface Fano resonances
por: Martinez-Gomez, Luis, et al.
Publicado: (2024)
por: Martinez-Gomez, Luis, et al.
Publicado: (2024)
Nuclear spin relaxation in zero- to ultralow-field magnetic resonance spectroscopy
por: Teleanu, Florin, et al.
Publicado: (2025)
por: Teleanu, Florin, et al.
Publicado: (2025)
Thermal spin-crossover and temperature-dependent zero-field splitting in magnetic nanographene chains
por: Wang, Yan, et al.
Publicado: (2024)
por: Wang, Yan, et al.
Publicado: (2024)
Analysis of concentration polarization in reverse osmosis and nanofiltration: zero-, one-, and two-dimensional models
por: Biesheuvel, P. M., et al.
Publicado: (2024)
por: Biesheuvel, P. M., et al.
Publicado: (2024)
Orbital Anatomy of Self-Interaction in Kohn-Sham Density Functional Theory
por: Slattery, Samuel A., et al.
Publicado: (2024)
por: Slattery, Samuel A., et al.
Publicado: (2024)
Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
por: Krishnan, Aparna, et al.
Publicado: (2026)
por: Krishnan, Aparna, et al.
Publicado: (2026)
Efficient Implementation of Relativistic Coupled Cluster Linear Response Theory in Combination with Perturbation Sensitive Natural Spinors and Cholesky Decomposition Treatment of Two-electron Integrals
por: Chakraborty, Sudipta, et al.
Publicado: (2026)
por: Chakraborty, Sudipta, et al.
Publicado: (2026)
Extrapolating molecular dynamics simulations to zero time step and across thermodynamic space
por: Coshic, Kush, et al.
Publicado: (2026)
por: Coshic, Kush, et al.
Publicado: (2026)
Catalytic Resonance Theory: Kinetics and Frequency Response of Light-Promoted Catalysis
por: Dauenhauer, Paul J
Publicado: (2025)
por: Dauenhauer, Paul J
Publicado: (2025)
Real-Time Coupled Cluster Theory with Approximate Triples
por: Wang, Zhe, et al.
Publicado: (2024)
por: Wang, Zhe, et al.
Publicado: (2024)
Efficient Grand Canonical Global Optimization with On-the-fly-trained Machine-learning Interatomic Potentials
por: Dominguez, Jon Eunan Quinlivan, et al.
Publicado: (2025)
por: Dominguez, Jon Eunan Quinlivan, et al.
Publicado: (2025)
Cavity Born-Oppenheimer Coupled Cluster Theory: Towards Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime
por: Fischer, Eric W.
Publicado: (2025)
por: Fischer, Eric W.
Publicado: (2025)
Ejemplares similares
-
Seniority-zero Quadratic Canonical Transformation Theory
por: Calero-Osorio, Daniel F., et al.
Publicado: (2026) -
Seniority-Zero Canonical Transformation Theory: Reducing Truncation Error with Late Truncation
por: Calero-Osorio, Daniel F., et al.
Publicado: (2025) -
Foundation for the ΔSCF Approach in Density Functional Theory
por: Yang, Weitao, et al.
Publicado: (2024) -
Quantum Seniority-based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem
por: Patel, Smik, et al.
Publicado: (2025) -
Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
por: Wang, Ruisi, et al.
Publicado: (2025)