Saved in:
| Main Authors: | Sergentu, Dumitru-Claudiu, Duplaix-Rata, Gwenhaël, Humelnicu, Ionel, Guennic, Boris Le, Maurice, Rémi |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2511.18837 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
The resolution of the weak-exchange limit made rigorous, simple and general in binuclear complexes
by: Sergentu, Dumitru-Claudiu, et al.
Published: (2023)
by: Sergentu, Dumitru-Claudiu, et al.
Published: (2023)
Ab initio study of highly charged ion-induced Coulomb explosion imaging
by: Viveiros, Misa, et al.
Published: (2025)
by: Viveiros, Misa, et al.
Published: (2025)
Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks
by: Širůček, Jakub, et al.
Published: (2025)
by: Širůček, Jakub, et al.
Published: (2025)
Ab initio surface chemistry with chemical accuracy
by: Ye, Hong-Zhou, et al.
Published: (2023)
by: Ye, Hong-Zhou, et al.
Published: (2023)
Ab initio calculations of molecular double Auger decay rates
by: Kolorenč, Přemysl
Published: (2024)
by: Kolorenč, Přemysl
Published: (2024)
Ab initio study on the dynamics and spectroscopy of collective rovibrational polaritons
by: Szidarovszky, Tamás
Published: (2024)
by: Szidarovszky, Tamás
Published: (2024)
Ab initio computation of Auger decay in heavy metals: zinc about it
by: Ferino-Pérez, Anthuan, et al.
Published: (2024)
by: Ferino-Pérez, Anthuan, et al.
Published: (2024)
Regularized Perturbation Theory for Ab initio Solids
by: Chen, Meng-Fu, et al.
Published: (2025)
by: Chen, Meng-Fu, et al.
Published: (2025)
Ab initio thermodynamics of liquid and solid water
by: Cheng, Bingqing, et al.
Published: (2018)
by: Cheng, Bingqing, et al.
Published: (2018)
Ab initio insights into plasmonic and strong-field contributions to H$_2$ dissociation on silver nanoshells
by: Koval, Natalia E., et al.
Published: (2025)
by: Koval, Natalia E., et al.
Published: (2025)
Making peace with random phases: Ab initio conical intersection dynamics in random gauges
by: Zhu, Xiaotong, et al.
Published: (2024)
by: Zhu, Xiaotong, et al.
Published: (2024)
Application of a spherically averaged pair potential in \emph{ab initio} path integral Monte Carlo simulations of the warm dense electron gas
by: Dornheim, Tobias, et al.
Published: (2025)
by: Dornheim, Tobias, et al.
Published: (2025)
Ab initio intermolecular interactions mediate thermochemically real-fluid effects that affect system reactivity
by: Wang, Mingrui, et al.
Published: (2024)
by: Wang, Mingrui, et al.
Published: (2024)
Ab initio extended Hubbard model of short polyenes for efficient quantum computing
by: Yoshida, Yuichiro, et al.
Published: (2024)
by: Yoshida, Yuichiro, et al.
Published: (2024)
Ab initio study on photocatalytic properties of PtSSe-WXY Janus heterostructures
by: Shastri, Shivprasad S., et al.
Published: (2025)
by: Shastri, Shivprasad S., et al.
Published: (2025)
Surface-enhanced Raman scattering and density functional theory study of selected-lanthanide-citrate complexes (lanthanide: La, Ce, Pr, Nd, Sm, Eu, and Gd)
by: Jin, Hao, et al.
Published: (2025)
by: Jin, Hao, et al.
Published: (2025)
Ab initio Simulations of EMI-BF4 Neutral-Surface Interactions in Electrospray Thrusters
by: Laws, Nicholas, et al.
Published: (2025)
by: Laws, Nicholas, et al.
Published: (2025)
Ab initio machine learning simulation of calcium carbonate from aqueous solutions to the solid state
by: Piaggi, Pablo M., et al.
Published: (2024)
by: Piaggi, Pablo M., et al.
Published: (2024)
Ab initio treatment of molecular Coster-Kronig decay using complex-scaled equation-of-motion coupled-cluster theory
by: Drennhaus, Jan Philipp, et al.
Published: (2024)
by: Drennhaus, Jan Philipp, et al.
Published: (2024)
Ab initio quantum many-body description of superconducting trends in the cuprates
by: Cui, Zhi-Hao, et al.
Published: (2023)
by: Cui, Zhi-Hao, et al.
Published: (2023)
Accurate Ab-initio Neural-network Solutions to Large-Scale Electronic Structure Problems
by: Scherbela, Michael, et al.
Published: (2025)
by: Scherbela, Michael, et al.
Published: (2025)
Ab Initio Molecular Dynamics calculations on NO oxidation over oxygen functionalized Highly Oriented Pyrolytic Graphite
by: Angulo, Gilberto A. Alou, et al.
Published: (2024)
by: Angulo, Gilberto A. Alou, et al.
Published: (2024)
Ab initio study of electronic states and radiative properties of the AcF molecule
by: Skripnikov, Leonid V., et al.
Published: (2023)
by: Skripnikov, Leonid V., et al.
Published: (2023)
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)
by: Mosyagin, Nikolai S., et al.
Published: (2020)
Ab initio calculation of electronic band structure of Cd$_{1-x}$Fe$_x$Se
by: Mehrabova, Matanat A., et al.
Published: (2025)
by: Mehrabova, Matanat A., et al.
Published: (2025)
Ab-initio simulation of excited-state potential energy surfaces with transferable deep quantum Monte Carlo
by: Schätzle, Zeno, et al.
Published: (2025)
by: Schätzle, Zeno, et al.
Published: (2025)
Watching lanthanide nanoparticles one at a time: characterization of their photoluminescence dynamics at the single nanoparticle level
by: Veedu, Malavika Kayyil, et al.
Published: (2024)
by: Veedu, Malavika Kayyil, et al.
Published: (2024)
Ab initio density functional theory approach to warm dense hydrogen: from density response to electronic correlations
by: Moldabekov, Zhandos A., et al.
Published: (2025)
by: Moldabekov, Zhandos A., et al.
Published: (2025)
Convolutional neural network approach to ion Coulomb crystal image analysis
by: Allsopp, James, et al.
Published: (2025)
by: Allsopp, James, et al.
Published: (2025)
Ab initio path-integral Monte Carlo results for the one-particle spectral function of the warm dense electron gas
by: Hamann, Paul, et al.
Published: (2026)
by: Hamann, Paul, et al.
Published: (2026)
Accurate crystal field Hamiltonians of single-ion magnets at mean-field cost
by: Peng, Linqing, et al.
Published: (2025)
by: Peng, Linqing, et al.
Published: (2025)
Structures, photoluminescence, and magnetism of 1D lanthanide coordination polymers dominated on 3,5‐dichlorobenzoate
by: Yanping Dong, et al.
Published: (2024)
by: Yanping Dong, et al.
Published: (2024)
Direct electrical access to the spin manifolds of individual monovalent lanthanide atoms
by: Czap, Gregory, et al.
Published: (2024)
by: Czap, Gregory, et al.
Published: (2024)
Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation
by: Nys, Jannes, et al.
Published: (2024)
by: Nys, Jannes, et al.
Published: (2024)
Exploring the Electronic and Mechanical Properties of TPDH-Nanotube: Insights from Ab initio and Classical Molecular Dynamics Simulations
by: Quispe, Juan Gomez, et al.
Published: (2024)
by: Quispe, Juan Gomez, et al.
Published: (2024)
Ultrahigh ion diffusion in oxide crystal by engineering the interfacial transporter channels
by: Li, Liang, et al.
Published: (2022)
by: Li, Liang, et al.
Published: (2022)
Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: structural properties
by: Dornheim, Tobias, et al.
Published: (2024)
by: Dornheim, Tobias, et al.
Published: (2024)
Upscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries
by: Yang, Yuan-Chi, et al.
Published: (2025)
by: Yang, Yuan-Chi, et al.
Published: (2025)
Ab Initio Characterization of C2H4N2 Isomers: Structures, electronic energies, spectroscopic parameters and formation pathways
by: Godwin, Oko Emmanuel, et al.
Published: (2026)
by: Godwin, Oko Emmanuel, et al.
Published: (2026)
A new generation of effective core potentials: Selected lanthanides and heavy elements II
by: Madany, Omar, et al.
Published: (2025)
by: Madany, Omar, et al.
Published: (2025)
Similar Items
-
The resolution of the weak-exchange limit made rigorous, simple and general in binuclear complexes
by: Sergentu, Dumitru-Claudiu, et al.
Published: (2023) -
Ab initio study of highly charged ion-induced Coulomb explosion imaging
by: Viveiros, Misa, et al.
Published: (2025) -
Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks
by: Širůček, Jakub, et al.
Published: (2025) -
Ab initio surface chemistry with chemical accuracy
by: Ye, Hong-Zhou, et al.
Published: (2023) -
Ab initio calculations of molecular double Auger decay rates
by: Kolorenč, Přemysl
Published: (2024)