First principles simulation of the collective rovibronic ground state in a cavity
Fuente:
arXiv
Saved in:
| Main Authors: | Krupp, Niclas, Huber, Moritz, Luo, Cheng, Vendrell, Oriol |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Collective rovibronic dynamics of a diatomic gas coupled by cavity
by: Krupp, Niclas, et al.
Published: (2024)
by: Krupp, Niclas, et al.
Published: (2024)
Quantum dynamics simulation of exciton-polariton transport
by: Krupp, Niclas, et al.
Published: (2024)
by: Krupp, Niclas, et al.
Published: (2024)
Benchmarking mixed quantum-classical dynamics for collective electronic strong coupling
by: Kanakati, Arun Kumar, et al.
Published: (2026)
by: Kanakati, Arun Kumar, et al.
Published: (2026)
Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition
by: Sasmal, Sudip, et al.
Published: (2024)
by: Sasmal, Sudip, et al.
Published: (2024)
Strong-Coupling Modification of Singlet-Fission Dynamical Pathways
by: Wallner, Lisamaria, et al.
Published: (2024)
by: Wallner, Lisamaria, et al.
Published: (2024)
Inverse optically-induced ring currents in ring-shaped molecules
by: Nandipati, Krishna Reddy, et al.
Published: (2024)
by: Nandipati, Krishna Reddy, et al.
Published: (2024)
A Fully Dynamical Description of Time-Resolved Resonant Inelastic X-ray Scattering of Pyrazine
by: Freibert, Antonia, et al.
Published: (2024)
by: Freibert, Antonia, et al.
Published: (2024)
Uncertainty-aware First-principles Exploration of Chemical Reaction Networks
by: Bensberg, Moritz, et al.
Published: (2023)
by: Bensberg, Moritz, et al.
Published: (2023)
Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone
by: Suchan, Jiří, et al.
Published: (2024)
by: Suchan, Jiří, et al.
Published: (2024)
Core-hole Coherent Spectroscopy in Molecules
by: Rodríguez-Cuenca, Emilio, et al.
Published: (2024)
by: Rodríguez-Cuenca, Emilio, et al.
Published: (2024)
ExoMol line lists -- LXV. Mid-Infrared rovibronic spectroscopy of isotopologues of NiH
by: Batrakov, Kirill, et al.
Published: (2024)
by: Batrakov, Kirill, et al.
Published: (2024)
ExoMol line lists -- LXIV: Empirical rovibronic spectra of phosphorous mononitride (PN) covering the IR and UV regions
by: Semenov, Mikhail, et al.
Published: (2024)
by: Semenov, Mikhail, et al.
Published: (2024)
A high resolution rovibronic molecular cross-section of MgH+ molecular cation
by: Xiao, Huagang, et al.
Published: (2024)
by: Xiao, Huagang, et al.
Published: (2024)
Non-Hermitian molecular dynamics simulations of exciton-polaritons in lossy cavities
by: Sokolovskii, Ilia, et al.
Published: (2023)
by: Sokolovskii, Ilia, et al.
Published: (2023)
Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, et al.
Published: (2024)
by: Rossi, Federico, et al.
Published: (2024)
Relativistic unitary coupled cluster method for ground-state molecular properties
by: Majee, Kamal, et al.
Published: (2025)
by: Majee, Kamal, et al.
Published: (2025)
Disorder-induced non-Gaussian states in large ensembles of cavity-coupled molecules
by: Schwengelbeck, R., et al.
Published: (2026)
by: Schwengelbeck, R., et al.
Published: (2026)
First principles prediction of wavelength-dependent isomerization quantum yields of a second-generation molecular nanomotor
by: Lucia-Tamudo, Jesús, et al.
Published: (2025)
by: Lucia-Tamudo, Jesús, et al.
Published: (2025)
Analytical evaluation of ground state gradients in quantum electrodynamics coupled cluster theory
by: Lexander, Marcus Takvam, et al.
Published: (2024)
by: Lexander, Marcus Takvam, et al.
Published: (2024)
Leveraging configuration interaction singles for qualitative descriptions of ground and excited states: state-averaging, linear-response, and spin-projection
by: Tsuchimochi, Takashi, et al.
Published: (2026)
by: Tsuchimochi, Takashi, et al.
Published: (2026)
Coupled-cluster theory for the ground state and for excitations
by: Grüneis, Andreas, et al.
Published: (2024)
by: Grüneis, Andreas, et al.
Published: (2024)
Dissipative ground state preparation in ab initio electronic structure theory
by: Li, Hao-En, et al.
Published: (2024)
by: Li, Hao-En, et al.
Published: (2024)
Precision ground-state energy calculation for the water molecule on a superconducting quantum processor
by: Jones, Michael A., et al.
Published: (2023)
by: Jones, Michael A., et al.
Published: (2023)
Convex Hartree-Fock theory: A simple framework for ground state conical intersections
by: Rossi, Federico, et al.
Published: (2025)
by: Rossi, Federico, et al.
Published: (2025)
Simulating polaritonic ground states on noisy quantum devices
by: Hassan, Mohammad, et al.
Published: (2023)
by: Hassan, Mohammad, et al.
Published: (2023)
Electrical double layer and capacitance of TiO2 electrolyte interfaces from first principles simulations
by: Zhang, Chunyi, et al.
Published: (2024)
by: Zhang, Chunyi, et al.
Published: (2024)
How reproducible are first-principles simulations of liquid water?
by: ONeill, Niamh, et al.
Published: (2026)
by: ONeill, Niamh, et al.
Published: (2026)
Unusual chemical bond and spectrum of beryllium dimer in ground $X^1Σ_g^+$ state
by: Mitin, A. V., et al.
Published: (2023)
by: Mitin, A. V., et al.
Published: (2023)
Characterization of the electronic ground state of He$_2^+$ by high-resolution photoelectron spectroscopy
by: Holdener, M., et al.
Published: (2025)
by: Holdener, M., et al.
Published: (2025)
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)
Interactions and cold collisions of AlF in the ground and excited electronic states with He
by: Ganesan-Santhi, Sangami, et al.
Published: (2024)
by: Ganesan-Santhi, Sangami, et al.
Published: (2024)
First-principle study of the influence of hydroxyapatite on magnesium surfaces
by: Berg, Anthony Veit, et al.
Published: (2026)
by: Berg, Anthony Veit, et al.
Published: (2026)
First-principles simulation of spin diffusion in static solids using dynamic mean-field theory
by: Gräßer, Timo, et al.
Published: (2025)
by: Gräßer, Timo, et al.
Published: (2025)
Stochastic resolution of identity to CC2 for large systems: Oscillator strength and ground state gradient calculations
by: Zhao, Chongxiao, et al.
Published: (2025)
by: Zhao, Chongxiao, et al.
Published: (2025)
A quantum chemistry dataset containing ground-state and conical-intersection structures of 260k molecules
by: Zhang, Jiahui, et al.
Published: (2026)
by: Zhang, Jiahui, et al.
Published: (2026)
Beyond asymptotic reasoning: the practicalities of a quantum ground state projector based on the wall-Chebyshev expansion
by: Filip, Maria-Andreea, et al.
Published: (2025)
by: Filip, Maria-Andreea, et al.
Published: (2025)
Parallelized Givens Ansatz for Molecular ground-states: Bridging Accuracy and Efficiency on NISQ Platforms
by: Nirmal, M. R., et al.
Published: (2025)
by: Nirmal, M. R., et al.
Published: (2025)
The ground electronic state of CS: the potential curve and associated Born-Oppenheimer rovibrational spectrum
by: Olivares-Pilon, Horacio, et al.
Published: (2024)
by: Olivares-Pilon, Horacio, et al.
Published: (2024)
Efficient ground-state energy estimation and certification on early fault-tolerant quantum computers
by: Wang, Guoming, et al.
Published: (2023)
by: Wang, Guoming, et al.
Published: (2023)
Multistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired, state-averaged approach to ground- and excited-state energies
by: Lang, Robert A., et al.
Published: (2025)
by: Lang, Robert A., et al.
Published: (2025)
Similar Items
-
Collective rovibronic dynamics of a diatomic gas coupled by cavity
by: Krupp, Niclas, et al.
Published: (2024) -
Quantum dynamics simulation of exciton-polariton transport
by: Krupp, Niclas, et al.
Published: (2024) -
Benchmarking mixed quantum-classical dynamics for collective electronic strong coupling
by: Kanakati, Arun Kumar, et al.
Published: (2026) -
Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition
by: Sasmal, Sudip, et al.
Published: (2024) -
Strong-Coupling Modification of Singlet-Fission Dynamical Pathways
by: Wallner, Lisamaria, et al.
Published: (2024)