Cover Image

Rovibrational computations for He$_2^+$ X $Σ_\mathrm{u}^+$ including non-adiabatic, relativistic and QED corrections

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Mátyus, Edit, Margócsy, Ádám
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Rovibrational computations for the He$_2$ a $^3Σ_\mathrm{u}^+$ state including non-adiabatic, relativistic, and QED corrections
by: Margócsy, Ádám, et al.
Published: (2025)

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

High-Precision Quantum Dynamics of He$_2$ over the b $^3Π_\mathrm{g}$-c $^3Σ_\mathrm{g}^+$ Electronic Subspace by including Non-adiabatic, Relativistic and QED Corrections and Couplings
by: Rácsai, Balázs, et al.
Published: (2025)

Bound-state relativistic quantum electrodynamics: a perspective for precision physics with atoms and molecules
by: Nonn, Ádám, et al.
Published: (2024)

Regularized relativistic corrections for polyelectronic and polyatomic systems with explicitly correlated Gaussians
by: Rácsai, Balázs, et al.
Published: (2024)

Rovibrational computation of H$_3^+$ with permutationally invariant Pekeris coordinates
by: Avila, Gustavo, et al.
Published: (2025)

Spin-dependent terms of the Breit-Pauli Hamiltonian evaluated with an explicitly correlated Gaussian basis set for molecular computations
by: Jeszenszki, Péter, et al.
Published: (2025)

One-particle operator representation over two-particle basis sets for relativistic QED computations
by: Hollósy, Péter, et al.
Published: (2024)

Double-pair Coulomb and Breit photon correction to the correlated relativistic energy
by: Jeszenszki, Péter, et al.
Published: (2025)

All-order relativistic computations for atoms and molecules using an explicitly correlated Gaussian basis
by: Jeszenszki, Péter, et al.
Published: (2021)

The Molecular Quantum electro-Dynamics Research Group in Budapest
by: Matyus, Edit
Published: (2025)

Variational Vibrational States of Methanol (12D)
by: Sunaga, Ayaki, et al.
Published: (2024)

Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces
by: Sunaga, Ayaki, et al.
Published: (2026)

Rovibrational (de-)excitation of H$_{2}$ by He revisited
by: Jóźwiak, Hubert, et al.
Published: (2023)

The double minimum E(3)$^1Σ^{+}_{\mathrm{u}}$ state in Cs$_2$
by: Jastrzebski, W., et al.
Published: (2025)

Methane dimer rovibrational states and Raman transition moments
by: Daría, Alberto Martín Santa, et al.
Published: (2023)

Hyperfine-Resolved Rovibrational and Rotational Spectroscopy of OH$^+$ ($X ^3Σ^-$)
by: Silva, Weslley G. D. P., et al.
Published: (2026)

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

Hyperfine rovibrational states of H$_3^+$ in a weak external magnetic field
by: Avila, Gustavo, et al.
Published: (2024)

Vibrational corrections to molecular properties including relativistic corrections at the level of the Zeroth-Order Regular Approximation
by: Jessen, Louise Møller, et al.
Published: (2025)

Gaussians for Electronic and Rovibrational Quantum Dynamics
by: Woźniak, Aleksander P., et al.
Published: (2024)

High Resolution Rovibrational and Rotational Spectroscopy of H$_2$CCCH$^+$
by: Silva, Weslley Guilherme Dias de Paiva, et al.
Published: (2024)

Rothe Time Propagation for Coupled Electronic and Rovibrational Quantum Dynamics
by: Woźniak, Aleksander P., et al.
Published: (2025)

Ab initio relativistic treatment of the intercombination $a^3Π-X^1Σ^+$ Cameron system of the CO molecule
by: Mosyagin, Nikolai S., et al.
Published: (2020)

Energy shifts in predissociating levels of diatomic molecules: The case of N$_2$ (C$''^5Π_u$) and N$_2$(1$^7Σ^+_u$) interacting states
by: Ventura, Laiz R., et al.
Published: (2025)

Precision Spectroscopy of the Fine Structure in the $\boldsymbol{a\;{}^3Σ_u^+(v=0)}$ and $\boldsymbol{c\;{}^3Σ_g^+(v=4)}$ States of the Helium Dimer
by: Wirth, V., et al.
Published: (2025)

A relativistic coupled-cluster treatment of magnetic hyperfine structure of the $X^2Π$ and $A^2Σ^+$ states of OH isotopologues
by: Usov, D. P., et al.
Published: (2025)

Fourier-transform spectroscopy and relativistic electronic structure calculation on the $c^3Σ^+$ state of KCs
by: Kruzins, Artis, et al.
Published: (2021)

Classical and quantum light-induced non-adiabaticity in molecular systems
by: Fábri, Csaba, et al.
Published: (2024)

A novel non-adiabatic spin relaxation mechanism in molecular qubits
by: Shushkov, Philip
Published: (2024)

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH$_2^+$
by: del Mazo-Sevillano, Pablo, et al.
Published: (2026)

Depolarization and polarization transfer rates for the C$_2$ $(X ^1Σ^+_g, a ^3Π_u)$ + H$(^2S_{1/2})$ collisions in the solar photosphere
by: Qutub, S., et al.
Published: (2025)

Excited state preparation on a quantum computer through adiabatic light-matter coupling
by: Burton, Hugh G. A., et al.
Published: (2025)

Photodissociation of Cr(CO)$_4$bpy: A non-adiabatic dynamics investigation
by: Ciborowski, Bartosz, et al.
Published: (2025)

A Molecular Beam Study of the (0,0) A2Π<- X2Σ+ Band of CaF Isotopologues
by: Bashiri, Termeh, et al.
Published: (2025)

Unusual chemical bond and spectrum of beryllium dimer in ground $X^1Σ_g^+$ state
by: Mitin, A. V., et al.
Published: (2023)

Exciting DeePMD: Learning excited state energies, forces, and non-adiabatic couplings
by: Dupuy, Lucien, et al.
Published: (2024)

Dissociation and isomerization following ionization of ethylene: insights from non-adiabatic dynamics simulations
by: Fransén, Lina, et al.
Published: (2024)

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)

Rovibrational Spectroscopy of Diatomic Molecules in a Modified Morse Potential using Nikiforov-Uvarov Functional Analysis
by: Sharma, Raghav, et al.
Published: (2024)