Integrals for relativistic nonadiabatic energies of H$_2$ in exponential basis
Fuente:
arXiv
Guardado en:
| Autores principales: | Pachucki, Krzysztof, Komasa, Jacek |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Nuclear magnetic shielding in HD and HT
por: Puchalski, Mariusz, et al.
Publicado: (2022)
por: Puchalski, Mariusz, et al.
Publicado: (2022)
Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues
por: Komasa, Jacek
Publicado: (2025)
por: Komasa, Jacek
Publicado: (2025)
Nonadiabatic corrections to electric quadrupole transition rates in H$_2$
por: Pachucki, Krzysztof, et al.
Publicado: (2025)
por: Pachucki, Krzysztof, et al.
Publicado: (2025)
Magnetic shielding in the atomic hydrogen anion
por: Kilich, Tymon, et al.
Publicado: (2025)
por: Kilich, Tymon, et al.
Publicado: (2025)
Impact of dipole self-energy on cavity-induced nonadiabatic dynamics
por: Fábri, Csaba, et al.
Publicado: (2024)
por: Fábri, Csaba, et al.
Publicado: (2024)
Nuclear magnetic shielding in heliumlike ions
por: Yerokhin, Vladimir A., et al.
Publicado: (2024)
por: Yerokhin, Vladimir A., et al.
Publicado: (2024)
Fermi's golden rule rate expression for transitions due to nonadiabatic derivative couplings in the adiabatic basis
por: Jang, Seogjoo J., et al.
Publicado: (2024)
por: Jang, Seogjoo J., et al.
Publicado: (2024)
Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
por: Kjønstad, Eirik F., et al.
Publicado: (2024)
por: Kjønstad, Eirik F., et al.
Publicado: (2024)
Approximations of the Iterative Stockholder Analysis scheme using exponential basis functions
por: Cheng, YingXing, et al.
Publicado: (2024)
por: Cheng, YingXing, et al.
Publicado: (2024)
Best practices for nonadiabatic molecular dynamics simulations
por: Prlj, Antonio, et al.
Publicado: (2025)
por: Prlj, Antonio, et al.
Publicado: (2025)
On decoherence in surface hopping: the nonadiabaticity threshold
por: Runeson, Johan E.
Publicado: (2025)
por: Runeson, Johan E.
Publicado: (2025)
Manipulating nonadiabatic dynamics by plasmonic nanocavity
por: Wang, Yu, et al.
Publicado: (2025)
por: Wang, Yu, et al.
Publicado: (2025)
Exponential convergence of the local diabatic representation for nonadiabatic models
por: Sha, Mo, et al.
Publicado: (2025)
por: Sha, Mo, et al.
Publicado: (2025)
Time-reversible implementation of MASH for efficient nonadiabatic molecular dynamics
por: Geuther, J. Amira, et al.
Publicado: (2024)
por: Geuther, J. Amira, et al.
Publicado: (2024)
Including photoexcitation explicitly in trajectory-based nonadiabatic dynamics at no cost
por: Janoš, Jiří, et al.
Publicado: (2024)
por: Janoš, Jiří, et al.
Publicado: (2024)
Automated selection of nuclear coordinates for reduced dimensionality nonadiabatic dynamics
por: Delmas, Vincent, et al.
Publicado: (2025)
por: Delmas, Vincent, et al.
Publicado: (2025)
Ultrafast nonadiabatic dynamics of tetraphenylsubstituted nitrogen-based heterocycles
por: Hernández-Rodríguez, Javier, et al.
Publicado: (2026)
por: Hernández-Rodríguez, Javier, et al.
Publicado: (2026)
All-order relativistic computations for atoms and molecules using an explicitly correlated Gaussian basis
por: Jeszenszki, Péter, et al.
Publicado: (2021)
por: Jeszenszki, Péter, et al.
Publicado: (2021)
Semiclassical Dynamics in Wigner Phase Space II : nonadiabatic Hybrid Wigner Dynamics
por: Malpathak, Shreyas, et al.
Publicado: (2024)
por: Malpathak, Shreyas, et al.
Publicado: (2024)
Towards a correct description of initial electronic coherence in nonadiabatic dynamics simulations
por: Mannouch, Jonathan R., et al.
Publicado: (2024)
por: Mannouch, Jonathan R., et al.
Publicado: (2024)
One-particle operator representation over two-particle basis sets for relativistic QED computations
por: Hollósy, Péter, et al.
Publicado: (2024)
por: Hollósy, Péter, et al.
Publicado: (2024)
QED corrections to the correlated relativistic energy: one-photon processes
por: Margócsy, Adám, et al.
Publicado: (2023)
por: Margócsy, Adám, et al.
Publicado: (2023)
A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions
por: Zhang, Chaoqun, et al.
Publicado: (2024)
por: Zhang, Chaoqun, et al.
Publicado: (2024)
Koopmon trajectories in nonadiabatic quantum-classical dynamics
por: Bauer, Werner, et al.
Publicado: (2023)
por: Bauer, Werner, et al.
Publicado: (2023)
Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers
por: Li, Jingjing, et al.
Publicado: (2025)
por: Li, Jingjing, et al.
Publicado: (2025)
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
por: Traore, Diata, et al.
Publicado: (2024)
por: Traore, Diata, et al.
Publicado: (2024)
Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation
por: Choi, Seonghoon, et al.
Publicado: (2019)
por: Choi, Seonghoon, et al.
Publicado: (2019)
Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation
por: Roulet, Julien, et al.
Publicado: (2019)
por: Roulet, Julien, et al.
Publicado: (2019)
On the electronic path integral normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamics
por: Cook, Lauren E., et al.
Publicado: (2025)
por: Cook, Lauren E., et al.
Publicado: (2025)
Predicting complete basis set limit quasiparticle energies from triple-$ζ$ calculations
por: Baum, Dario, et al.
Publicado: (2025)
por: Baum, Dario, et al.
Publicado: (2025)
Double-pair Coulomb and Breit photon correction to the correlated relativistic energy
por: Jeszenszki, Péter, et al.
Publicado: (2025)
por: Jeszenszki, Péter, et al.
Publicado: (2025)
Computing linear optical spectra in the presence of nonadiabatic effects on Graphics Processing Units using molecular dynamics and tensor-network approaches
por: Lambertson, Evan, et al.
Publicado: (2024)
por: Lambertson, Evan, et al.
Publicado: (2024)
Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials
por: Tiefenbacher, Maximilian X., et al.
Publicado: (2025)
por: Tiefenbacher, Maximilian X., et al.
Publicado: (2025)
Accurate determination of excitation energy: An equation-of-motion approach over a bi-exponential Coupled Cluster theory
por: Chakraborty, Anish, et al.
Publicado: (2023)
por: Chakraborty, Anish, et al.
Publicado: (2023)
How to correct Ehrenfest nonadiabatic dynamics in open quantum systems: Ehrenfest plus random force (E$+$$σ$) dynamics
por: Chen, Jingqi, et al.
Publicado: (2024)
por: Chen, Jingqi, et al.
Publicado: (2024)
Broadband impulsive stimulated Raman spectroscopy reveals electronic state-specific vibronic coupling and vibrational coherence transfer through nonadiabatic electronic coupling
por: Kaur, Ramandeep, et al.
Publicado: (2026)
por: Kaur, Ramandeep, et al.
Publicado: (2026)
Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?
por: Choi, Seonghoon, et al.
Publicado: (2020)
por: Choi, Seonghoon, et al.
Publicado: (2020)
Correcting basis set incompleteness in wave function correlation energy by dressing electronic Hamiltonian with an effective short-range interaction
por: Hapka, Michał, et al.
Publicado: (2025)
por: Hapka, Michał, et al.
Publicado: (2025)
Adaptive atomic basis sets
por: Khan, Danish, et al.
Publicado: (2024)
por: Khan, Danish, et al.
Publicado: (2024)
Data-driven complete basis set limit estimates from a minimal auxiliary basis
por: Grimblat, Nicolas, et al.
Publicado: (2026)
por: Grimblat, Nicolas, et al.
Publicado: (2026)
Ejemplares similares
-
Nuclear magnetic shielding in HD and HT
por: Puchalski, Mariusz, et al.
Publicado: (2022) -
Electron-nucleus Araki-Sucher correction in the hydrogen molecule isotopologues
por: Komasa, Jacek
Publicado: (2025) -
Nonadiabatic corrections to electric quadrupole transition rates in H$_2$
por: Pachucki, Krzysztof, et al.
Publicado: (2025) -
Magnetic shielding in the atomic hydrogen anion
por: Kilich, Tymon, et al.
Publicado: (2025) -
Impact of dipole self-energy on cavity-induced nonadiabatic dynamics
por: Fábri, Csaba, et al.
Publicado: (2024)