:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Barlini, Alberto, Bianchi, Andrea, Ronca, Enrico, Koch, Henrik
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	https://arxiv.org/abs/2402.10599
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

A Complete Active Space Self-Consistent Field approach for molecules in QED environments
by: Alessandro, Riccardo, et al.
Published: (2025)

Cavity Field-Driven Symmetry Breaking and Modulation of Vibrational Properties: Insights from the Analytical QED-HF Hessian
by: Barlini, Alberto, et al.
Published: (2025)

Multilevel DFT Response Theory
by: Barlini, Alberto, et al.
Published: (2026)

Strong coupling electron-photon dynamics: a real-time investigation of energy redistribution in molecular polaritons
by: Castagnola, Matteo, et al.
Published: (2024)

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

Chiral polaritonics: cavity-mediated enantioselective excitation condensation
by: Riso, Rosario R., et al.
Published: (2024)

Polaritonic Bloch's Theorem beyond the Long-Wavelength Approximation
by: Bruno, Giovanna, et al.
Published: (2025)

Strong coupling quantum electrodynamics Hartree-Fock response theory
by: Castagnola, Matteo, et al.
Published: (2025)

Strong coupling Møller-Plesset perturbation theory
by: Moutaoukal, Yassir El, et al.
Published: (2025)

Collective Strong Coupling Modifies Aggregation and Solvation
by: Castagnola, Matteo, et al.
Published: (2023)

Automatic generation of density fitting auxiliary basis sets for all electron Dirac-Kohn-Sham calculations
by: Antonini, Nicolo', et al.
Published: (2025)

Unveiling chiral electron-photon correlation effects in circularly polarized optical devices
by: Moutaoukal, Yassir El, et al.
Published: (2025)

Towards polaritonic molecular orbitals for large molecular systems
by: Moutaoukal, Yassir El, et al.
Published: (2024)

eT 2.0: An efficient open-source molecular electronic structure program
by: Folkestad, Sarai Dery, et al.
Published: (2025)

Restoring the Conical Intersection Topology using Convex Density Functional Theory
by: Rossi, Federico, et al.
Published: (2026)

Convex Hartree-Fock theory: A simple framework for ground state conical intersections
by: Rossi, Federico, et al.
Published: (2025)

Understanding failures in electronic structure methods arising from the geometric phase effect
by: Kjønstad, Eirik F., et al.
Published: (2024)

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

Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory
by: Angelico, Sara, et al.
Published: (2024)

Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)

SpinAdaptedSecondQuantization.jl 1.0 -- A Simple and Pedagogical Approach to Symbolic Quantum Chemistry
by: Lexander, Marcus T., et al.
Published: (2025)

Excitation Energies from the Entanglement Coupled Cluster Model for Doublets
by: Folkestad, Sarai Dery, et al.
Published: (2025)

Thermodynamics of mixtures containing aromatic nitriles
by: González, Juan Antonio, et al.
Published: (2024)

Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, et al.
Published: (2024)

Similarity Constrained CC2 for Efficient Coupled Cluster Nonadiabatic Dynamics
by: Stoll, Leo, et al.
Published: (2025)

Sympathetic rotational cooling of large trapped molecular ions
by: Leibscher, Monika, et al.
Published: (2025)

Analytical evaluation of ground state gradients in quantum electrodynamics coupled cluster theory
by: Lexander, Marcus Takvam, et al.
Published: (2024)

Electron delocalization in aromaticity as a superposition phenomenon
by: Yeşiller, Mahir H., et al.
Published: (2023)

Response to "Response to 'Comment on Theoretical examination of QED Hamiltonian in relativistic molecular orbital theory'" [J. Chem. Phys. 160, 187102 (2024)]
by: Liu, Wenjian
Published: (2023)

Radiative stabilization of the indenyl cation: Recurrent fluorescence in a closed-shell polycyclic aromatic hydrocarbon
by: Bull, James N., et al.
Published: (2025)

Modeling the emission spectra of polycyclic aromatic hydrocarbons by recurrent fluorescence
by: Borja, Damien, 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)

The effect of finite mass in cavity QED calculations
by: Nair, Ankita, et al.
Published: (2025)

Machine learning classification of local environments in molecular crystals
by: Kuroshima, Daisuke, et al.
Published: (2024)

Topological Woodward-Hoffmann classification for cycloadditions in polycyclic aromatic azomethine ylides
by: Li, Juan, et al.
Published: (2024)

Coupled cluster theory for positron binding in anions and polyatomic molecules
by: Riso, Rosario R., et al.
Published: (2026)

QED corrections to the correlated relativistic energy: one-photon processes
by: Margócsy, Adám, et al.
Published: (2023)

Physical probes expose and alleviate chemical-environment collapse in molecular representations
by: Fang, Jiebin, et al.
Published: (2026)

Quantum state tracking and control of a single molecular ion in a thermal environment
by: Liu, Yu, et al.
Published: (2023)

Relativistic unitary coupled cluster method for ground-state molecular properties
by: Majee, Kamal, et al.
Published: (2025)