The orientation dependence of cavity-modified chemistry
Fuente:
arXiv
Saved in:
| Main Authors: | Liebenthal, Marcus D., DePrince III, A. Eugene |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions
by: Li, Run R., et al.
Published: (2021)
by: Li, Run R., et al.
Published: (2021)
Relativistic Two-component Double Ionization Potential Equation-of-Motion Coupled Cluster with the Dirac--Coulomb--Breit Hamiltonian
by: Li, Run R., et al.
Published: (2025)
by: Li, Run R., et al.
Published: (2025)
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
by: DePrince III, A. Eugene, et al.
Published: (2025)
by: DePrince III, A. Eugene, et al.
Published: (2025)
Automated Quantum Chemistry Code Generation with the p$^\dagger$q Package
by: Liebenthal, Marcus D., et al.
Published: (2025)
by: Liebenthal, Marcus D., et al.
Published: (2025)
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)
Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates
by: Rubin, Nicholas C., et al.
Published: (2026)
by: Rubin, Nicholas C., et al.
Published: (2026)
Extension of the CC($P$;$Q$) Formalism to the Electron Attachment and Ionization Potential Equation-of-Motion Coupled-Cluster Frameworks
by: Gururangan, Karthik, et al.
Published: (2025)
by: Gururangan, Karthik, et al.
Published: (2025)
Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory
by: Phillips, Justin T., et al.
Published: (2025)
by: Phillips, Justin T., et al.
Published: (2025)
Data-driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory
by: Jones, Grier M., et al.
Published: (2023)
by: Jones, Grier M., et al.
Published: (2023)
Time-Dependent Relativistic Two-Component Equation-of-Motion Coupled-Cluster for Open-Shell Systems: TD-EA/IP-EOMCC
by: Pathirage, P. D. Varuna S., et al.
Published: (2026)
by: Pathirage, P. D. Varuna S., et al.
Published: (2026)
Two-component relativistic equation-of-motion coupled cluster for electron ionization
by: Yuwono, Stephen H., et al.
Published: (2024)
by: Yuwono, Stephen H., et al.
Published: (2024)
Definitive Assessment of the Accuracy, Variationality, and Convergence of Relativistic Coupled Cluster and Density Matrix Renormalization Group in 100-Orbital Space
by: Upadhyay, Shiv, et al.
Published: (2026)
by: Upadhyay, Shiv, et al.
Published: (2026)
Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale
by: Shayit, Agam, et al.
Published: (2025)
by: Shayit, Agam, et al.
Published: (2025)
Relativistic Core-Valence-Separated Molecular Mean-Field Exact-Two-Component Equation-of-Motion Coupled Cluster Theory: Applications to L-edge X-ray Absorption Spectroscopy
by: Banerjee, Samragni, et al.
Published: (2025)
by: Banerjee, Samragni, et al.
Published: (2025)
Relativistic coupled cluster with completely renormalized and perturbative triples corrections
by: Yuwono, Stephen H., et al.
Published: (2024)
by: Yuwono, Stephen H., et al.
Published: (2024)
Fast quantum simulation of electronic structure by spectrum amplification
by: Low, Guang Hao, et al.
Published: (2025)
by: Low, Guang Hao, et al.
Published: (2025)
Fault-tolerant quantum simulation of materials using Bloch orbitals
by: Rubin, Nicholas C., et al.
Published: (2023)
by: Rubin, Nicholas C., et al.
Published: (2023)
Non-polaritonic effects in cavity-modified photochemistry
by: Thomas, Philip A., et al.
Published: (2023)
by: Thomas, Philip A., et al.
Published: (2023)
Variational determination of the two‐electron reduced density matrix: A tutorial review
by: A. Eugene DePrince
Published: (2024)
by: A. Eugene DePrince
Published: (2024)
Quantum-electrodynamical time-dependent density functional theory description of molecules in optical cavities
by: Aklilu, Yetmgeta, et al.
Published: (2025)
by: Aklilu, Yetmgeta, et al.
Published: (2025)
Diffusion-controlled reaction rate to an active site in a spherical cavity: Extension of Berg's theory
by: Traytak, Sergey D., et al.
Published: (2025)
by: Traytak, Sergey D., et al.
Published: (2025)
Cavity-modified electronic interactions in molecular ensembles under vibrational strong coupling: Combined insights from cavity Born-Oppenheimer perturbation and ab initio wave function theories
by: Fischer, Eric W.
Published: (2024)
by: Fischer, Eric W.
Published: (2024)
The effect of finite mass in cavity QED calculations
by: Nair, Ankita, et al.
Published: (2025)
by: Nair, Ankita, et al.
Published: (2025)
Liquid water under vibrational strong coupling: an extended cavity Born-Oppenheimer molecular dynamics study
by: Bowles, Jessica, et al.
Published: (2024)
by: Bowles, Jessica, et al.
Published: (2024)
High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study
by: Albrecht, Paul A., et al.
Published: (2025)
by: Albrecht, Paul A., et al.
Published: (2025)
Light-harvesting efficiency cannot depend on optical coherence in the absence of orientational order
by: Rouse, Dominic M, et al.
Published: (2023)
by: Rouse, Dominic M, et al.
Published: (2023)
Chiral polaritonics: cavity-mediated enantioselective excitation condensation
by: Riso, Rosario R., et al.
Published: (2024)
by: Riso, Rosario R., et al.
Published: (2024)
Thermal chemical reactivity in Frenkel exciton-polariton cavities
by: Cui, Bingyu, et al.
Published: (2026)
by: Cui, Bingyu, et al.
Published: (2026)
Impact of dipole self-energy on cavity-induced nonadiabatic dynamics
by: Fábri, Csaba, et al.
Published: (2024)
by: Fábri, Csaba, et al.
Published: (2024)
Phaseless auxiliary-field quantum Monte Carlo method for cavity-QED matter systems
by: Weber, Lukas, et al.
Published: (2024)
by: Weber, Lukas, et al.
Published: (2024)
Blackbody radiation and thermal effects on chemical reactions and phase transitions in cavities
by: Pannir-Sivajothi, Sindhana, et al.
Published: (2024)
by: Pannir-Sivajothi, Sindhana, et al.
Published: (2024)
First principles simulation of the collective rovibronic ground state in a cavity
by: Krupp, Niclas, et al.
Published: (2025)
by: Krupp, Niclas, et al.
Published: (2025)
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)
Collective resonance light scattering from thermally relaxing systems in cavities
by: Cui, Bingyu
Published: (2026)
by: Cui, Bingyu
Published: (2026)
Controlling molecular dynamics by exciting atoms in a cavity
by: Csehi, András, et al.
Published: (2024)
by: Csehi, András, et al.
Published: (2024)
On the existence of distinct equilibrium configurations under orienting external electric fields
by: Lai, Duc Anh, et al.
Published: (2026)
by: Lai, Duc Anh, et al.
Published: (2026)
Perspective: Multi-configurational methods in bio-inorganic chemistry
by: Jørgensen, Frederik K., et al.
Published: (2024)
by: Jørgensen, Frederik K., et al.
Published: (2024)
Collective rovibronic dynamics of a diatomic gas coupled by cavity
by: Krupp, Niclas, et al.
Published: (2024)
by: Krupp, Niclas, et al.
Published: (2024)
Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference
by: Ben-Asher, Anael, et al.
Published: (2024)
by: Ben-Asher, Anael, et al.
Published: (2024)
Selective excitation of molecular vibrations via a two-mode cavity Raman scheme
by: Borges, Lucas, et al.
Published: (2025)
by: Borges, Lucas, et al.
Published: (2025)
Similar Items
-
Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions
by: Li, Run R., et al.
Published: (2021) -
Relativistic Two-component Double Ionization Potential Equation-of-Motion Coupled Cluster with the Dirac--Coulomb--Breit Hamiltonian
by: Li, Run R., et al.
Published: (2025) -
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
by: DePrince III, A. Eugene, et al.
Published: (2025) -
Automated Quantum Chemistry Code Generation with the p$^\dagger$q Package
by: Liebenthal, Marcus D., et al.
Published: (2025) -
Cavity Quantum Electrodynamics Ring Coupled Cluster and the Random Phase Approximation
by: DePrince III, A. Eugene, et al.
Published: (2026)