Image de couverture de livre

Short-time Accuracy and Intra-electron Correlation for Nonadiabatic Quantum-Classical Mapping Approaches

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Lang, Haifeng, Hauke, Philipp
Format:	Preprint
Publié:	2024
Sujets:	Chemical Physics Computational Physics Quantum Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Nonadiabatic Field: A Conceptually Novel Approach for Nonadiabatic Quantum Molecular Dynamics
par: Wu, Baihua, et autres
Publié: (2025)

An Oracle-Free Quantum Algorithm for Nonadiabatic Quantum Molecular Dynamics
par: Courtney, Joshua
Publié: (2026)

Variationally Compressing Quantum Circuits to Approximate Nonadiabatic Molecular Quantum Dynamics
par: Courtney, Joshua M., et autres
Publié: (2026)

Nonadiabatic Field with Triangle Window Functions on Quantum Phase Space
par: He, Xin, et autres
Publié: (2024)

Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces
par: Preston, Riley J., et autres
Publié: (2024)

Nonadiabatic ring-polymer instanton rate theory: a generalised dividing-surface approach
par: Zarotiadis, Rhiannon A., et autres
Publié: (2025)

Nonadiabatic Field on Quantum Phase Space: A Century after Ehrenfest
par: Wu, Baihua, et autres
Publié: (2024)

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
par: Cigrang, Léon E., et autres
Publié: (2025)

Nonadiabatic ImF instanton rate theory
par: Zarotiadis, Rhiannon A., et autres
Publié: (2025)

Quantum Quality with Classical Cost: Ab Initio Nonadiabatic Dynamics Simulations using the Mapping Approach to Surface Hopping
par: Mannouch, Jonathan R., et autres
Publié: (2024)

Twin-Space Representation of Classical Mapping Model in the Constraint Phase Space Representation: Numerically Exact Approach to Open Quantum Systems
par: Zhang, Jiaji, et autres
Publié: (2025)

Correlated Purification for Restoring $N$-Representability in Quantum Simulation
par: Wang, Yuchen, et autres
Publié: (2025)

Molecular Properties in Quantum-Classical Auxiliary-Field Quantum Monte Carlo: Correlated Sampling with Application to Accurate Nuclear Forces
par: Goings, Joshua J., et autres
Publié: (2025)

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

Orbital Surface Hopping from Orbital Quantum-Classical Liouville Equation for Nonadiabatic Dynamics of Many-electron Systems
par: Ma, Yong-Tao, et autres
Publié: (2024)

Mixed Quantum/Classical Theory (MQCT) Approach to the Dynamics of Molecule-Molecule Collisions in Complex Systems
par: Joy, Carolin, et autres
Publié: (2023)

The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics
par: Cook, Lauren E., et autres
Publié: (2025)

Classically Prepared, Quantumly Evolved: Hybrid Algorithm for Molecular Spectra
par: Santini, Alessandro, et autres
Publié: (2025)

Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers
par: Rossmannek, Max, et autres
Publié: (2023)

Integrated Software/Hardware Execution Models for High-Accuracy Methods in Chemistry
par: Bauman, Nicholas, et autres
Publié: (2025)

Bridging Quantum Chemistry and MaxCut: Classical Performance Guarantees and Quantum Algorithms for the Hartree-Fock Method
par: Ralli, Alexis, et autres
Publié: (2025)

Unitary Basis Transformations in Mixed Quantum-Classical Dynamics
par: Miyazaki, Ken, et autres
Publié: (2024)

Time-dependent orbital-optimized coupled-cluster methods families for fermion-mixtures dynamics
par: Lang, Haifeng, et autres
Publié: (2024)

Quantum Simulations of Chemical Reactions: Achieving Accuracy with NISQ Devices
par: Sarkar, Maitreyee, et autres
Publié: (2025)

Correlated vibration-solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy
par: Zhu, Zi-Fan, et autres
Publié: (2025)

Fast adaptive discontinuous basis sets for electronic structure
par: Pan, Yulong, et autres
Publié: (2025)

Quantum-Classical Auxiliary Field Quantum Monte Carlo with Matchgate Shadows on Trapped Ion Quantum Computers
par: Zhao, Luning, et autres
Publié: (2025)

Floquet Nonadiabatic Mixed Quantum-Classical Dynamics in Laser-Dressed Solid Systems
par: Chen, Jingqi, et autres
Publié: (2024)

Negative Marginal Densities in Mixed Quantum-Classical Liouville Dynamics
par: Gu, Kai, et autres
Publié: (2025)

Mixed Quantum-Classical Dynamics Yields Anharmonic Rabi Oscillations
par: Hsieh, Ming-Hsiu, et autres
Publié: (2025)

Classical Pre-optimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications
par: Mullinax, J. Wayne, et autres
Publié: (2024)

Enhancing Density Functional Theory for Static Correlation in Large Molecules
par: Gibney, Daniel, et autres
Publié: (2024)

A Further Comparison of MPS and TTNS for Nonadiabatic Dynamics of Exciton Dissociation
par: Li, Weitang, et autres
Publié: (2025)

Integrating Classical and Quantum Software for Enhanced Simulation of Realistic Chemical Systems
par: Shiota, Tomoya, et autres
Publié: (2025)

Mixed Quantum-Classical Approaches to Spin Current and Polarization Dynamics in Chiral Molecular Junctions
par: Wang, Yu, et autres
Publié: (2025)

Nonadiabatic derivative couplings through multiple Franck-Condon modes dictate the energy gap law for near and short-wave infrared dye molecules
par: Ramos, Pablo, et autres
Publié: (2023)

Explicitly Correlated Gaussian Basis Approach to Periodic Systems
par: Varga, Kalman
Publié: (2026)

Quasi-classical Trajectory Calculations on a Two-state Potential Energy Surface Including Nonadiabatic Coupling Terms as Friction for D+ + H2 Collisions
par: Mukherjee, Soumya, et autres
Publié: (2024)

Large-scale Efficient Molecule Geometry Optimization with Hybrid Quantum-Classical Computing
par: Hao, Yajie, et autres
Publié: (2025)

The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation
par: Graves, Vincent, et autres
Publié: (2023)