Exact tunneling splittings from path-integral hybrid Monte Carlo with enveloping bridging potentials
Fuente:
arXiv
Saved in:
| Main Authors: | Wang, Yu-Chen, Richardson, Jeremy O. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Exact tunneling splittings of rotationally excited states from symmetrized path-integral molecular dynamics
by: Zupan, Lea, et al.
Published: (2026)
by: Zupan, Lea, et al.
Published: (2026)
Nonadiabatic rare events from transition-path sampling of MASH trajectories
by: Ghamari, Danial, et al.
Published: (2026)
by: Ghamari, Danial, et al.
Published: (2026)
Multidimensional tunnelling of molecules aligned by strong electric fields
by: Geuther, J. Amira, et al.
Published: (2025)
by: Geuther, J. Amira, et al.
Published: (2025)
Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water
by: Thomsen, Bo, et al.
Published: (2024)
by: Thomsen, Bo, et al.
Published: (2024)
Ring-polymer instanton theory for tunneling between asymmetric wells
by: Fiechter, Marit R., et al.
Published: (2025)
by: Fiechter, Marit R., et al.
Published: (2025)
Open quantum-classical systems: A hybrid MASH master equation
by: Asnaashari, Kasra, et al.
Published: (2025)
by: Asnaashari, Kasra, et al.
Published: (2025)
Chemical potential of the warm dense electron gas from ab initio path integral Monte Carlo simulations
by: Dornheim, Tobias, et al.
Published: (2024)
by: Dornheim, Tobias, et al.
Published: (2024)
Perturbatively corrected ring-polymer instanton rate theory rigorously captures anharmonicity and deep tunneling
by: Dušek, Jindra, et al.
Published: (2025)
by: Dušek, Jindra, et al.
Published: (2025)
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)
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
by: Svensson, Pontus, et al.
Published: (2025)
by: Svensson, Pontus, et al.
Published: (2025)
Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics
by: Dornheim, Tobias, et al.
Published: (2025)
by: Dornheim, Tobias, et al.
Published: (2025)
Estimating ionization states and continuum lowering from ab initio path integral Monte Carlo simulations for warm dense hydrogen
by: Bellenbaum, Hannah M., et al.
Published: (2025)
by: Bellenbaum, Hannah M., et al.
Published: (2025)
Re-weighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles
by: Dornheim, Tobias, et al.
Published: (2025)
by: Dornheim, Tobias, et al.
Published: (2025)
η-ensemble path integral Monte Carlo approach to the free energy of the warm dense electron gas and the uniform electron liquid
by: Dornheim, Tobias, et al.
Published: (2024)
by: Dornheim, Tobias, et al.
Published: (2024)
Semiclassical Spin Exchange via Temperature-Dependent Transition States
by: Mukherjee, Debaarjun, et al.
Published: (2025)
by: Mukherjee, Debaarjun, et al.
Published: (2025)
Machine learning meets $\mathfrak{su}(n)$ Lie algebra: Enhancing quantum dynamics learning with exact trace conservation
by: Ullah, Arif, et al.
Published: (2025)
by: Ullah, Arif, et al.
Published: (2025)
Simulating electronic coherences induced by conical intersections using MASH: Application to attosecond X-ray spectroscopy
by: Furlanetto, Daniele, et al.
Published: (2025)
by: Furlanetto, Daniele, et al.
Published: (2025)
Fermionic free energies from \textit{ab initio} path integral Monte Carlo simulations of fictitious identical particles
by: Dornheim, Tobias, et al.
Published: (2025)
by: Dornheim, Tobias, et al.
Published: (2025)
Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter
by: Dornheim, Tobias, et al.
Published: (2024)
by: Dornheim, Tobias, et al.
Published: (2024)
Quantum entanglement from classical trajectories
by: Runeson, Johan E., et al.
Published: (2021)
by: Runeson, Johan E., et al.
Published: (2021)
Accurate Tunneling Splittings for Ever-Larger Molecules from Transfer-Learned, CCSD(T) Quality Energy Functions
by: Käser, Silvan, et al.
Published: (2024)
by: Käser, Silvan, et al.
Published: (2024)
Artificial Thermalization in Ring-Polymer Molecular Dynamics: The Breakdown of RPMD for Gas-Phase Reactions with Pre-Reactive Complexes and How to Fix It
by: Lawrence, Joseph E., et al.
Published: (2025)
by: Lawrence, Joseph E., 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)
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)
Understanding the Cavity Born-Oppenheimer Approximation
by: Fiechter, Marit R., et al.
Published: (2024)
by: Fiechter, Marit R., et al.
Published: (2024)
Nonadiabatic ImF instanton rate theory
by: Zarotiadis, Rhiannon A., et al.
Published: (2025)
by: Zarotiadis, Rhiannon A., et al.
Published: (2025)
Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces
by: Ibrahim, Alexander, et al.
Published: (2025)
by: Ibrahim, Alexander, et al.
Published: (2025)
Time-reversible implementation of MASH for efficient nonadiabatic molecular dynamics
by: Geuther, J. Amira, et al.
Published: (2024)
by: Geuther, J. Amira, et al.
Published: (2024)
High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo
by: Goswami, Shubhang, et al.
Published: (2024)
by: Goswami, Shubhang, et al.
Published: (2024)
High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum Dynamics
by: Andreichev, Valerii, et al.
Published: (2026)
by: Andreichev, Valerii, et al.
Published: (2026)
A Size-Consistent Multi-State Mapping Approach to Surface Hopping
by: Lawrence, Joseph E., et al.
Published: (2024)
by: Lawrence, Joseph E., et al.
Published: (2024)
Auxiliary Field Quantum Monte Carlo for Electron-Photon Correlation
by: Weight, Braden M., et al.
Published: (2025)
by: Weight, Braden M., et al.
Published: (2025)
Excited states in auxiliary field quantum Monte Carlo
by: Mahajan, Ankit, et al.
Published: (2025)
by: Mahajan, Ankit, et al.
Published: (2025)
Reducing the time-step errors in diffusion Monte Carlo
by: Anderson, Tyler A., et al.
Published: (2023)
by: Anderson, Tyler A., et al.
Published: (2023)
Local Pseudopotential Unlocks the True Potential of Neural Network-based Quantum Monte Carlo
by: Fu, Weizhong, et al.
Published: (2025)
by: Fu, Weizhong, et al.
Published: (2025)
Efficient Auxiliary-Field Quantum Monte Carlo using Isometric Tensor Hypercontraction
by: Luo, Maxine, et al.
Published: (2026)
by: Luo, Maxine, et al.
Published: (2026)
Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions
by: Jiang, Tong, et al.
Published: (2024)
by: Jiang, Tong, et al.
Published: (2024)
Method-independent cusps for atomic orbitals in quantum Monte Carlo
by: Quady, Trine Kay, et al.
Published: (2024)
by: Quady, Trine Kay, et al.
Published: (2024)
Scalable Quantum Monte Carlo Method for Polariton Chemistry via Mixed Block Sparsity and Tensor Hypercontraction Method
by: Zhang, Yu
Published: (2025)
by: Zhang, Yu
Published: (2025)
Nonadiabatic ring-polymer instanton rate theory: a generalised dividing-surface approach
by: Zarotiadis, Rhiannon A., et al.
Published: (2025)
by: Zarotiadis, Rhiannon A., et al.
Published: (2025)
Similar Items
-
Exact tunneling splittings of rotationally excited states from symmetrized path-integral molecular dynamics
by: Zupan, Lea, et al.
Published: (2026) -
Nonadiabatic rare events from transition-path sampling of MASH trajectories
by: Ghamari, Danial, et al.
Published: (2026) -
Multidimensional tunnelling of molecules aligned by strong electric fields
by: Geuther, J. Amira, et al.
Published: (2025) -
Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water
by: Thomsen, Bo, et al.
Published: (2024) -
Ring-polymer instanton theory for tunneling between asymmetric wells
by: Fiechter, Marit R., et al.
Published: (2025)