Image de couverture de livre

Real-time dynamics with bead-Fourier path integrals I: Bead-Fourier CMD

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	London, Nathan, Momeni, Mohammad R.
Format:	Preprint
Publié:	2025
Sujets:	Chemical Physics Other Condensed Matter
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Real-time dynamics with bead-Fourier path integrals. II. Bead-Fourier RPMD
par: London, Nathan, et autres
Publié: (2025)

Multistep reversible excitation transfer in a multicomponent rigid solution: I. Calculation of steady-state and time-resolved fluorescence intensities
par: Kuśba, Józef
Publié: (2024)

Role of Molecular Structure in Defining the Dynamical Landscape of Deep Eutectic Solvents at Nanoscale
par: Rinesh, T., et autres
Publié: (2025)

Isotope effects in supercooled H$_2$O and D$_2$O and a corresponding-states-like rescaling of the temperature and pressure
par: Kimmel, Greg A.
Publié: (2024)

Rectification of Vibrational Energy Transfer in Driven Chiral Molecules
par: Feng, Jichen, et autres
Publié: (2025)

Gearing of nitrate ions in ammonium nitrate
par: Du, Na, et autres
Publié: (2025)

Deconstructing the Origins of Interfacial Catalysis: Why Electric Fields are Inseparable from Solvation
par: Di Pino, Solana, et autres
Publié: (2025)

Regularised density-potential inversion for periodic systems: application to exact exchange in one dimension
par: Bohle, Oliver M., et autres
Publié: (2025)

Nonclassical Nucleation Pathways in Liquid Condensation Revealed by Simulation and Theory
par: Wu, Yijian, et autres
Publié: (2025)

Accurate extrapolation of MP2 correlation energies for small correlation-consistent core-valence basis sets
par: Fabiano, E., et autres
Publié: (2025)

How Salt Solvation Slows Water Dynamics While Blue-Shifting Its Dielectric Spectrum
par: Pabst, Florian, et autres
Publié: (2025)

Nuclear Angular Momentum Generation in Thermally Driven Chiral Systems
par: Feng, Jichen, et autres
Publié: (2025)

Dispersion Interaction Between Thin Conducting Cylinders
par: Pal, Subhojit, et autres
Publié: (2024)

Isotope effect on the anomalies of water: a corresponding states analysis
par: Caupin, Frédéric, et autres
Publié: (2021)

Exchange-correlation entropy from the generalized thermal adiabatic connection
par: Harding, Brittany P., et autres
Publié: (2024)

Surface Plasmons in the Continuum
par: Chaudhary, Mohit, et autres
Publié: (2026)

Photoluminescent registration of fullerite C$_{60}$ derivatives during chemical interaction with H$_{2}$ and N$_{2}$ molecules
par: Zoryansky, Victor, et autres
Publié: (2026)

Extending non-adiabatic rate theory to strong electronic couplings in the Marcus inverted regime
par: Fay, Thomas P
Publié: (2024)

Capturing thermal effects beyond the zero-temperature approximation using the uniform electron gas
par: Aguilar-Solis, Brianna, et autres
Publié: (2026)

Foundation for the ΔSCF Approach in Density Functional Theory
par: Yang, Weitao, et autres
Publié: (2024)

Impact of Electron-Withdrawing Groups on Ion Transport and Structure in Lithium Borate Ionic Liquids
par: Koverga, Volodymyr, et autres
Publié: (2023)

Simulating Vibronic Spectra without Born-Oppenheimer Surfaces
par: Lively, Kevin, et autres
Publié: (2021)

Adsorbate Dissociation Due to Heteromolecular Electronic Energy Transfer from Fluorobenzene Thin Films
par: Jensen, E. T.
Publié: (2024)

Self-consistent approach to the dynamics of excitation energy transfer in multichromophoric systems
par: Janković, Veljko, et autres
Publié: (2024)

Multistep reversible excitation transfer in a multicomponent rigid solution: II. Modeling the dynamics of radiationless transfer as a time-resolved Markov chain
par: Kuśba, Józef
Publié: (2024)

Four center integrals for Coulomb interactions in small molecules
par: Goldstein, Garry
Publié: (2024)

Towards Accurate Mixed Quantum Classical Simulations of Vibrational Polaritonic Chemistry
par: Hasyim, Muhammad R., et autres
Publié: (2025)

Investigating the Collective Nature of Cavity Modified Chemical Kinetics under Vibrational Strong Coupling
par: Lindoy, Lachlan P., et autres
Publié: (2024)

Directional Photocurrent Generated by Quantum Interference Control
par: Gong, Yiming, et autres
Publié: (2025)

Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
par: Jasrasaria, Dipti, et autres
Publié: (2024)

Nucleation and phase transition of decagonal quasicrystals
par: Zhou, Tiejun, et autres
Publié: (2024)

Structure and Dynamic Evolution of Interfaces between Polymer Solutions and Gels and Polymer Interdiffusion: A Molecular Dynamics Study
par: Vishnu, Jude Ann, et autres
Publié: (2024)

Local-density correlation functional from the force-balance equation
par: Tancogne-Dejean, Nicolas, et autres
Publié: (2025)

Notes from the Physics Teaching Lab: NMR Experiments at 21 Gauss
par: Libbrecht, Kenneth G.
Publié: (2025)

A density-fitting implementation of the density-based basis-set correction method
par: Heßelmann, Andreas, et autres
Publié: (2023)

Simulating critical anion chemistry with indirect excitons
par: Myśliwy, Krzysztof, et autres
Publié: (2024)

Exchange energies with forces in density-functional theory
par: Tancogne-Dejean, Nicolas, et autres
Publié: (2022)

Relaxation of maximally entangled quantum states of two nonequivalent nuclear spins in a liquid
par: Baroncha, Georgiy, et autres
Publié: (2024)

A Room-Temperature Ferrotoroidic Material Exhibiting Magnetic Semiconductor Properties with Superhigh Hole Mobility
par: Qi, Jianyuan, et autres
Publié: (2025)

On the equilibrium limit of liquid stability in pressurized aqueous systems
par: Zarriz, Arian, et autres
Publié: (2024)