Imagen de Portada

Crossing Seam Blockade

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Liu, Ruoxi, Zhu, Xiaotong, Gu, Bing
Formato:	Preprint
Publicado:	2026
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Making peace with random phases: Ab initio conical intersection dynamics in random gauges
por: Zhu, Xiaotong, et al.
Publicado: (2024)

Topological Quantum Molecular Dynamics
por: Xie, Yujuan, et al.
Publicado: (2025)

The Entropic Barrier around the Conical Intersection Seam
por: Dietschreit, Johannes C. B., et al.
Publicado: (2026)

Marcus Theory and The Condon Approximation Revisited I: E-SHAKE and Seam Sampling
por: Cofer-Shabica, D. Vale, et al.
Publicado: (2025)

Nonadiabatic conical intersection dynamics in the local diabatic representation with Strang splitting and Fourier basis
por: Gu, Bing
Publicado: (2023)

Density matrix renormalization group in the discrete variable representation basis
por: Gu, Bing
Publicado: (2024)

Coarse-Grained Geometric Quantum Dynamics in the Tensor Network Representation
por: Sha, Mo, et al.
Publicado: (2026)

Geometric phase-induced nuclear quantum interference is robust against quantum dissipation
por: Li, Xiang, et al.
Publicado: (2025)

Exponential convergence of the local diabatic representation for nonadiabatic models
por: Sha, Mo, et al.
Publicado: (2025)

Path-ordered linked product approximation to the global electronic overlap matrix
por: Xie, Yujuan, et al.
Publicado: (2025)

Noncollinear Spin-Flip TDDFT for Potential Energy Surface Crossings: Conical Intersections and Spin Crossings
por: Zhang, Xiaoyu, et al.
Publicado: (2025)

Elastic and Inelastic Electron Scattering Cross Sections of Trichlorofluoromethane
por: Dinger, Mareike, et al.
Publicado: (2024)

An Automated Framework for Analyzing Structural Evolution in On-the-fly Non-adiabatic Molecular Dynamics Using Autoencoder and Multiple Molecular Descriptors
por: Liu, Hangxu, et al.
Publicado: (2025)

GMTHRASHpy: Forward Convolutions of Crossed Molecular Beams Experiments in Python
por: Fujioka, Kazuumi, et al.
Publicado: (2025)

Instanton Theory for Nonadiabatic Tunneling through Near-Barrier Crossings
por: Ye, Ziyan, et al.
Publicado: (2025)

Redox chemistry meets semiconductor defect physics
por: Gu, Jian, et al.
Publicado: (2025)

Negative Marginal Densities in Mixed Quantum-Classical Liouville Dynamics
por: Gu, Kai, et al.
Publicado: (2025)

Extending Ambient Pressure X-ray Photoelectron Spectroscopy to Plasma Studies: A novel and flexible plasma gun approach
por: Gu, Yang, et al.
Publicado: (2025)

Kinetics of Barrier Crossing Events from Temperature Accelerated Sliced Sampling Simulations
por: Saurav, Sameer, et al.
Publicado: (2025)

Physics-informed machine learning for combustion: A review
por: Wu, Jiahao, et al.
Publicado: (2025)

AtmoSpec -- A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds
por: Hollas, Daniel, et al.
Publicado: (2024)

Production, Characteristics and Biological effects of Protonated Small Water Clusters
por: Zhu, Yixin
Publicado: (2025)

Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
por: Ding, Mingwei, et al.
Publicado: (2026)

A Comparative Experimental and Theoretical Study on Doubly Differential Electron-Impact Ionization Cross Sections of Pyrimidine
por: Dinger, M., et al.
Publicado: (2024)

Electron Spin Dynamics of the Intersystem Crossing in Aminoanthraquinone Derivatives: The Spectral Telltale of Short Triplet Excited States
por: Wang, Ruilei, et al.
Publicado: (2024)

Cross Learning between Electronic Structure Theories for Unifying Molecular, Surface, and Inorganic Crystal Foundation Force Fields
por: Batatia, Ilyes, et al.
Publicado: (2025)

Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space Study
por: Karak, Pijush, et al.
Publicado: (2024)

Reliable emulation of complex functionals by active learning with error control
por: Fang, Xinyi, et al.
Publicado: (2022)

Observation of counterion binding in the inner Helmholtz layer at the ionic surfactant-water interface
por: Peng, Yuyang, et al.
Publicado: (2025)

Machine Learning Potential for Electrochemical Interfaces with Hybrid Representation of Dielectric Response
por: Zhu, Jia-Xin, et al.
Publicado: (2024)

Vib2Conf: AI-driven discrimination of molecular conformations from vibrational spectra
por: Lu, Xin-Yu, et al.
Publicado: (2026)

Experimental Upper Bounds for Resonance-Enhanced Entangled Two-Photon Absorption Cross Section of Indocyanine Green
por: He, Manni, et al.
Publicado: (2023)

A Large Language Model for Chemistry and Retrosynthesis Predictions
por: Zhang, Yueqing, et al.
Publicado: (2025)

The Role of Spin-Orbit Coupling on the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes
por: Talbot, Justin J., et al.
Publicado: (2024)

Thermal mean-field theories
por: Gu, Pinhao, et al.
Publicado: (2024)

Diagrammatic Multiplet-Sum Method (MSM) Density-Functional Theory (DFT): II. Completion of the Two-Orbital Two-Electron Model (TOTEM) with an Application to the Avoided Crossing in Lithium Hydride (LiH)
por: Casida, Mark E., et al.
Publicado: (2025)

Vib2Mol: from vibrational spectra to molecular structures-a unified deep learning framework
por: Lu, Xinyu, et al.
Publicado: (2025)

Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation
por: Yu, Jincheng, et al.
Publicado: (2024)

QCDGE database, Quantum Chemistry Database with Ground- and Excited-state Properties of 450 Kilo Molecules
por: Zhu, Yifei, et al.
Publicado: (2024)

Unveiling the effects of Cu doping on the H2 activation by CeO2 surface frustrated Lewis pairs
por: Liu, Tongtong, et al.
Publicado: (2024)