Saved in:
| Main Authors: | Nakashima, Philip N. H., Shao, Yu-Tsun, Zhang, Zezhong, Smith, Andrew E., Liu, Tianyu, Medhekar, Nikhil V., Etheridge, Joanne, Bourgeois, Laure, Zuo, Jian-Min |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2512.05296 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Kinetic energy density functional based on electron distribution on the energy coordinate to describe covalent bond
by: Takahashi, Hideaki
Published: (2025)
by: Takahashi, Hideaki
Published: (2025)
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
by: Li, Jiachen, et al.
Published: (2024)
by: Li, Jiachen, et al.
Published: (2024)
Visualizing intense laser field driven electron dynamics in a multielectron molecule: dynamic electron localization, bonding properties and multiple ionization bursts
by: Bauerle, L., et al.
Published: (2025)
by: Bauerle, L., et al.
Published: (2025)
Short-time Accuracy and Intra-electron Correlation for Nonadiabatic Quantum-Classical Mapping Approaches
by: Lang, Haifeng, et al.
Published: (2024)
by: Lang, Haifeng, et al.
Published: (2024)
Nonlocal dielectric properties of water: the role of electronic delocalisation
by: Labavić, Darka, et al.
Published: (2025)
by: Labavić, Darka, et al.
Published: (2025)
Machine learning the two-electron reduced density matrix in molecules and condensed phases
by: B., Jessica A. Martinez, et al.
Published: (2026)
by: B., Jessica A. Martinez, et al.
Published: (2026)
Localized intrinsic bond orbitals decode correlated charge migration dynamics
by: Wahyutama, Imam S., et al.
Published: (2026)
by: Wahyutama, Imam S., et al.
Published: (2026)
Stretching bonds in Density Functional Theory without artificial symmetry breaking
by: Shi, Yuming, et al.
Published: (2023)
by: Shi, Yuming, et al.
Published: (2023)
MolCluster: Integrating Graph Neural Network with Community Detection for Coarse-Grained Mapping
by: Zhong, Zhixuan, et al.
Published: (2025)
by: Zhong, Zhixuan, et al.
Published: (2025)
Multi-messenger tracking of coherence loss during bond breaking
by: Wang, Tian, et al.
Published: (2025)
by: Wang, Tian, et al.
Published: (2025)
A generalized valence bond model for the quantum mechanics of bonding in sulfur compounds, a new view of hypervalency
by: Murphy, Robert B., et al.
Published: (2024)
by: Murphy, Robert B., et al.
Published: (2024)
Axion-mediated electron-nucleus and electron-electron interactions in barium monofluoride molecule
by: Prosnyak, Sergey D., et al.
Published: (2024)
by: Prosnyak, Sergey D., et al.
Published: (2024)
Walking with the atoms in a chemical bond : A perspective using quantum phase transition
by: Kais, Sabre
Published: (2022)
by: Kais, Sabre
Published: (2022)
Quantifying hydrogen bonding using electrically tunable nanoconfined water
by: Wang, Ziwei, et al.
Published: (2025)
by: Wang, Ziwei, et al.
Published: (2025)
Imaging the photochemical dynamics of cyclobutanone with MeV ultrafast electron diffraction
by: Wang, Tianyu, et al.
Published: (2025)
by: Wang, Tianyu, et al.
Published: (2025)
Density functional benchmark for quadruple hydrogen bonds
by: Ahmed, Usman, et al.
Published: (2025)
by: Ahmed, Usman, et al.
Published: (2025)
Chemical bonding in three-membered ring systems
by: Strasser, Nina, et al.
Published: (2024)
by: Strasser, Nina, et al.
Published: (2024)
Twin-Space Representation of Classical Mapping Model in the Constraint Phase Space Representation: Numerically Exact Approach to Open Quantum Systems
by: Zhang, Jiaji, et al.
Published: (2025)
by: Zhang, Jiaji, et al.
Published: (2025)
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)
Effect of molecular and electronic geometries on the electronic density in FLO-SIC
by: Liebing, Simon, et al.
Published: (2022)
by: Liebing, Simon, et al.
Published: (2022)
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches
by: Marruzzo, Alessia, et al.
Published: (2025)
by: Marruzzo, Alessia, et al.
Published: (2025)
Towards accurate predictions of bond-selective fluorescence spectra
by: Kocheril, Philip A., et al.
Published: (2026)
by: Kocheril, Philip A., et al.
Published: (2026)
Simulating and investigating various dynamic aspects of the $\rm{H}_2\rm{O}$-related hydrogen bond model
by: You, Jiangchuan, et al.
Published: (2024)
by: You, Jiangchuan, et al.
Published: (2024)
Electron dynamics mediate the water-carbon π bond
by: LeMessurier, N., et al.
Published: (2026)
by: LeMessurier, N., et al.
Published: (2026)
An atomic-scale perspective on individual thiol-terminated molecules anchored to single S vacancies in MoS$_2$
by: Simon, J. Rika, et al.
Published: (2024)
by: Simon, J. Rika, et al.
Published: (2024)
Liouvillian exceptional points of an open driven two-level system
by: Seshadri, Nikhil, et al.
Published: (2024)
by: Seshadri, Nikhil, et al.
Published: (2024)
Transformer refined quantum sampling for strongly correlated electronic structure
by: Zeng, Xiongzhi, et al.
Published: (2026)
by: Zeng, Xiongzhi, et al.
Published: (2026)
A complex Gaussian representation of continuum wavefunctions respectful of their asymptotic behaviour
by: Nana, Stéphanie Laure Egome, et al.
Published: (2025)
by: Nana, Stéphanie Laure Egome, et al.
Published: (2025)
Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory
by: Venturella, Christian, et al.
Published: (2026)
by: Venturella, Christian, et al.
Published: (2026)
Self-replicating fuels via autocatalytic molecular bond fission
by: Agbo, Peter
Published: (2024)
by: Agbo, Peter
Published: (2024)
Electronic Energy Singularities of Weakly H-bonded Ammonium Dimer
by: Ali, Md Rejwan
Published: (2025)
by: Ali, Md Rejwan
Published: (2025)
Optical cycling in charged complexes with Ra-N bonds
by: Isaev, Timur, et al.
Published: (2023)
by: Isaev, Timur, et al.
Published: (2023)
Probing valence electron and hydrogen dynamics using charge-pair imaging with ultrafast electron diffraction
by: Wang, Tianyu, et al.
Published: (2025)
by: Wang, Tianyu, et al.
Published: (2025)
Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol olfactory receptor
by: Okamoto, Chisato, et al.
Published: (2023)
by: Okamoto, Chisato, et al.
Published: (2023)
A critical assessment of bonding descriptors for predicting materials properties
by: Naik, Aakash Ashok, et al.
Published: (2026)
by: Naik, Aakash Ashok, et al.
Published: (2026)
Facile synthesis of CoSi alloy with rich vacancy for base- and solvent-free aerobic oxidation of aromatic alcohols
by: Zhao, Zhiyue, et al.
Published: (2024)
by: Zhao, Zhiyue, et al.
Published: (2024)
Equivalent circuit modeling of electron-hole recombination in semiconductor and mixed ionic-electronic conductor based devices
by: Moia, Davide
Published: (2024)
by: Moia, Davide
Published: (2024)
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
by: Zope, Rajendra R., et al.
Published: (2024)
by: Zope, Rajendra R., et al.
Published: (2024)
Many-body theory calculations of positronic-bonded molecular dianions
by: Cassidy, J. P., et al.
Published: (2023)
by: Cassidy, J. P., et al.
Published: (2023)
The average bond-length of diatomic molecules in thermodynamical equilibrium depends on the volume
by: Echenique-Robba, Pablo
Published: (2024)
by: Echenique-Robba, Pablo
Published: (2024)
Similar Items
-
Kinetic energy density functional based on electron distribution on the energy coordinate to describe covalent bond
by: Takahashi, Hideaki
Published: (2025) -
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
by: Li, Jiachen, et al.
Published: (2024) -
Visualizing intense laser field driven electron dynamics in a multielectron molecule: dynamic electron localization, bonding properties and multiple ionization bursts
by: Bauerle, L., et al.
Published: (2025) -
Short-time Accuracy and Intra-electron Correlation for Nonadiabatic Quantum-Classical Mapping Approaches
by: Lang, Haifeng, et al.
Published: (2024) -
Nonlocal dielectric properties of water: the role of electronic delocalisation
by: Labavić, Darka, et al.
Published: (2025)