Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians
Fuente:
arXiv
Saved in:
| Main Authors: | Konecny, Lukas, Kosheleva, Valeriia P., Ruggenthaler, Michael, Repisky, Michal, Rubio, Angel |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory
by: Konecny, Lukas, et al.
Published: (2024)
by: Konecny, Lukas, et al.
Published: (2024)
Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach
by: Konecny, Lukas, et al.
Published: (2026)
by: Konecny, Lukas, et al.
Published: (2026)
Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy
by: Moitra, Torsha, et al.
Published: (2025)
by: Moitra, Torsha, et al.
Published: (2025)
Light-Matter Response in Non-Relativistic Quantum Electrodynamics: Quantum Modifications of Maxwell's Equations
by: Flick, Johannes, et al.
Published: (2018)
by: Flick, Johannes, et al.
Published: (2018)
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
by: Repisky, Michal, et al.
Published: (2025)
by: Repisky, Michal, et al.
Published: (2025)
Density-Functional Tight Binding Meets Maxwell: Unraveling the Mysteries of (Strong) Light-Matter Coupling Efficiently
by: Sidler, Dominik, et al.
Published: (2025)
by: Sidler, Dominik, et al.
Published: (2025)
Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules Interacting with Light
by: Aklilu, Yetmgeta, et al.
Published: (2026)
by: Aklilu, Yetmgeta, et al.
Published: (2026)
Cavity-mediated localization and collective electron correlation phases
by: Sidler, Dominik, et al.
Published: (2026)
by: Sidler, Dominik, et al.
Published: (2026)
Linear and nonlinear vibrational excitation driven by molecular polaritons
by: Ying, Wenxiang, et al.
Published: (2026)
by: Ying, Wenxiang, et al.
Published: (2026)
Collectively-modified inter-molecular electron correlations: The connection of polaritonic chemistry and spin glass physics
by: Sidler, Dominik, et al.
Published: (2024)
by: Sidler, Dominik, et al.
Published: (2024)
Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory
by: Shen, Yang, et al.
Published: (2026)
by: Shen, Yang, et al.
Published: (2026)
The relevance of degenerate states in chiral polaritonics
by: Bustamante, Carlos M., et al.
Published: (2024)
by: Bustamante, Carlos M., et al.
Published: (2024)
Local-density correlation functional from the force-balance equation
by: Tancogne-Dejean, Nicolas, et al.
Published: (2025)
by: Tancogne-Dejean, Nicolas, et al.
Published: (2025)
Excited State Densities from Time-Dependent Density Functional Response Theory
by: Baranova, Anna, et al.
Published: (2025)
by: Baranova, Anna, et al.
Published: (2025)
SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian With Size-Intensive Picture Change
by: Surjuse, Kshitijkumar A., et al.
Published: (2026)
by: Surjuse, Kshitijkumar A., et al.
Published: (2026)
Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
by: Zhang, He, et al.
Published: (2024)
by: Zhang, He, et al.
Published: (2024)
Analytic Model Reveals Local Molecular Polarizability Changes Induced by Collective Strong Coupling in Optical Cavities
by: Horak, Jacob, et al.
Published: (2024)
by: Horak, Jacob, et al.
Published: (2024)
Quantum-Electrodynamical Density-Functional Theory Exemplified by the Quantum Rabi Model
by: Bakkestuen, Vebjørn H., et al.
Published: (2024)
by: Bakkestuen, Vebjørn H., et al.
Published: (2024)
Unraveling a cavity induced molecular polarization mechanism from collective vibrational strong coupling
by: Sidler, Dominik, et al.
Published: (2023)
by: Sidler, Dominik, et al.
Published: (2023)
Semiclassical Nonadiabatic Molecular Dynamics Using Linearized Pair-Density Functional Theory
by: Hennefarth, Matthew R., et al.
Published: (2024)
by: Hennefarth, Matthew R., et al.
Published: (2024)
Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
by: Hennefarth, Matthew R., et al.
Published: (2024)
by: Hennefarth, Matthew R., et al.
Published: (2024)
Relativistic Two-Electron Contributions within Exact Two-Component Theory
by: Wang, Xubo, et al.
Published: (2025)
by: Wang, Xubo, et al.
Published: (2025)
Expressions for the Exchange Correlation Potential and Exchange Correlation Functional of Kohn--Sham Density Functional Theory
by: Finley, James P.
Published: (2005)
by: Finley, James P.
Published: (2005)
Self-consistent Quantum Linear Response with a Polarizable Embedding environment
by: Reinholdt, Peter, et al.
Published: (2024)
by: Reinholdt, Peter, et al.
Published: (2024)
Multireference Perturbation Theories Based on the Dyall Hamiltonian
by: Sokolov, Alexander Yu.
Published: (2024)
by: Sokolov, Alexander Yu.
Published: (2024)
Self-Adaptive Real-Time Time-Dependent Density Functional Theory for X-ray Absorptions
by: Ye, Linfeng, et al.
Published: (2022)
by: Ye, Linfeng, et al.
Published: (2022)
Exchange energies with forces in density-functional theory
by: Tancogne-Dejean, Nicolas, et al.
Published: (2022)
by: Tancogne-Dejean, Nicolas, et al.
Published: (2022)
Optimally Tuned Multiconfigurational Short-Range DFT for Linear Response Properties
by: Hapka, Michał, et al.
Published: (2026)
by: Hapka, Michał, et al.
Published: (2026)
Reduced Density Matrix Functional Theory And A Reduced Formulation Of Density Functional Theory
by: Fredheim, Håkon R., et al.
Published: (2025)
by: Fredheim, Håkon R., et al.
Published: (2025)
Prediction of NMR Parameters and geometry in 133Cs-containing compounds using Density Functional Theory
by: Manukovsky, Nurit, et al.
Published: (2024)
by: Manukovsky, Nurit, et al.
Published: (2024)
A Verbose Note on Density Functional Theory
by: Liu, Chang
Published: (2024)
by: Liu, Chang
Published: (2024)
Ensemble Time-Dependent Density Functional Theory
by: Daas, Kimberly J., et al.
Published: (2025)
by: Daas, Kimberly J., et al.
Published: (2025)
Noise Reduction of Stochastic Density Functional Theory for Metals
by: Vu, Jake P., et al.
Published: (2024)
by: Vu, Jake P., et al.
Published: (2024)
Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
by: DePrince III, A. Eugene, et al.
Published: (2026)
by: DePrince III, A. Eugene, et al.
Published: (2026)
Spin-Flip Configuration Interaction for Strong Static Correlation in Quantum Electrodynamics
by: Weight, Braden M., et al.
Published: (2026)
by: Weight, Braden M., et al.
Published: (2026)
Non-perturbative Mass Renormalization Effects in Non-relativistic Quantum Electrodynamics
by: Welakuh, Davis M., et al.
Published: (2023)
by: Welakuh, Davis M., et al.
Published: (2023)
Relativistic Complete Active Space Self-consistent-Field Method with a Hierarchy of Exact Two-Component Hamiltonians
by: Wang, Xubo, et al.
Published: (2026)
by: Wang, Xubo, et al.
Published: (2026)
Exchange-only virial relation from the adiabatic connection
by: Laestadius, Andre, et al.
Published: (2023)
by: Laestadius, Andre, et al.
Published: (2023)
Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry
by: Ni, Anton Z., et al.
Published: (2025)
by: Ni, Anton Z., 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)
Similar Items
-
Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory
by: Konecny, Lukas, et al.
Published: (2024) -
Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach
by: Konecny, Lukas, et al.
Published: (2026) -
Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy
by: Moitra, Torsha, et al.
Published: (2025) -
Light-Matter Response in Non-Relativistic Quantum Electrodynamics: Quantum Modifications of Maxwell's Equations
by: Flick, Johannes, et al.
Published: (2018) -
X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
by: Repisky, Michal, et al.
Published: (2025)