Copertina

Cavity-modified electronic interactions in molecular ensembles under vibrational strong coupling: Combined insights from cavity Born-Oppenheimer perturbation and ab initio wave function theories

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autore principale:	Fischer, Eric W.
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Liquid water under vibrational strong coupling: an extended cavity Born-Oppenheimer molecular dynamics study
di: Bowles, Jessica, et al.
Pubblicazione: (2024)

Nucleophilic substitution at silicon under vibrational strong coupling: Refined insights from a high-level ab initio perspective
di: Frerick, Niels-Ole, et al.
Pubblicazione: (2026)

Cavity Born-Oppenheimer Coupled Cluster Theory: Towards Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime
di: Fischer, Eric W.
Pubblicazione: (2025)

Spin-cavity interactions in relativistic Jahn-Teller systems under strong light-matter coupling
di: Fischer, Eric W., et al.
Pubblicazione: (2026)

Beyond Cavity Born-Oppenheimer: On Non-Adiabatic Coupling and Effective Ground State Hamiltonians in Vibro-Polaritonic Chemistry
di: Fischer, Eric W., et al.
Pubblicazione: (2023)

Understanding the Cavity Born-Oppenheimer Approximation
di: Fiechter, Marit R., et al.
Pubblicazione: (2024)

Density functional theory beyond the Born-Oppenheimer approximation: Exact mapping onto an electronically non-interacting Kohn-Sham molecule
di: Fromager, Emmanuel, et al.
Pubblicazione: (2023)

Realistic ab initio predictions of excimer behavior under collective light-matter strong coupling
di: Castagnola, Matteo, et al.
Pubblicazione: (2024)

A phase-space view of vibrational energies without the Born-Oppenheimer framework
di: Bian, Xuezhi, et al.
Pubblicazione: (2024)

Unraveling a cavity induced molecular polarization mechanism from collective vibrational strong coupling
di: Sidler, Dominik, et al.
Pubblicazione: (2023)

Dissipative ground state preparation in ab initio electronic structure theory
di: Li, Hao-En, et al.
Pubblicazione: (2024)

A comprehensive theory for relativistic polaritonic chemistry: a four components ab initio treatment of molecular systems coupled to quantum fields
di: Thiam, Guillaume, et al.
Pubblicazione: (2024)

The coherent-state transformation in quantum electrodynamics coupled cluster theory
di: Fischer, Eric W.
Pubblicazione: (2026)

High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study
di: Albrecht, Paul A., et al.
Pubblicazione: (2025)

Quantum mechanical deconstruction of vibrational energy transfer rate and pathways modified by collective vibrational strong coupling
di: Yu, Qi, et al.
Pubblicazione: (2024)

Cavity-Born Oppenheimer Approximation for Molecules and Materials via Electric Field Response
di: Bonini, John, et al.
Pubblicazione: (2024)

Time evolution of natural orbitals in ab initio molecular dynamics
di: Santamaría, Alejandro Rivero, et al.
Pubblicazione: (2023)

Isotope effects in the electronic spectra of ammonia from ab initio semiclassical dynamics
di: Klētnieks, Ēriks, et al.
Pubblicazione: (2023)

The ground electronic state of CS: the potential curve and associated Born-Oppenheimer rovibrational spectrum
di: Olivares-Pilon, Horacio, et al.
Pubblicazione: (2024)

Deep Learning of ab initio Hessians for Transition State Optimization
di: Yuan, Eric C. -Y., et al.
Pubblicazione: (2024)

Search for long lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
di: Scheidegger, Alan, et al.
Pubblicazione: (2021)

Time-dependent ab__initio molecular-orbital decomposition for high-harmonic generation spectroscopy
di: Marchetta, Marco, et al.
Pubblicazione: (2025)

Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
di: Li, Chen, et al.
Pubblicazione: (2025)

Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry
di: Cui, Zhi-Hao, et al.
Pubblicazione: (2023)

The Moving Born-Oppenheimer Approximation
di: Barrera, Bernardo, et al.
Pubblicazione: (2025)

Towards ab initio Realizations of Collins' Conjecture
di: Zamani, Abdulrahman Y., et al.
Pubblicazione: (2025)

A quantum chemistry approach to linear vibro-polaritonic IR spectra with perturbative electron-photon correlation
di: Fischer, Eric W., et al.
Pubblicazione: (2024)

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
di: Begušić, Tomislav, et al.
Pubblicazione: (2020)

Long-range configuration interaction with an ab initio short-range correction and an asymptotic lower bound
di: Scemama, Anthony, et al.
Pubblicazione: (2024)

Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations
di: Makhov, Dmitry V., et al.
Pubblicazione: (2024)

Cavity-modified exciton-exciton annihilation in disordered molecular systems
di: Sokolovskii, I., et al.
Pubblicazione: (2026)

Semiclassical truncated-Wigner-approximation theory of molecular-vibration-polariton dynamics in optical cavities
di: Phuc, Nguyen Thanh
Pubblicazione: (2023)

Cavity-Modified Zeeman Effect via Spin-Polariton Formation
di: Fischer, Eric W., et al.
Pubblicazione: (2025)

Simulating Vibronic Spectra without Born-Oppenheimer Surfaces
di: Lively, Kevin, et al.
Pubblicazione: (2021)

Selective excitation of molecular vibrations via a two-mode cavity Raman scheme
di: Borges, Lucas, et al.
Pubblicazione: (2025)

Total Angular Momentum Conservation in Ab Initio Born-Oppenheimer Molecular Dynamics
di: Bian, Xuezhi, et al.
Pubblicazione: (2023)

On the breakdown of the Born-Oppenheimer approximation in LiH and LiD
di: Härkönen, Ville J.
Pubblicazione: (2023)

Reaching precise proton affinities in non-Born-Oppenheimer calculations
di: Nikkanen, Luukas, et al.
Pubblicazione: (2025)

Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentials
di: Ibrahim, Alexander, et al.
Pubblicazione: (2025)

Exact quantum dynamics of methanol: full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states
di: Sunaga, Ayaki, et al.
Pubblicazione: (2025)