Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water
Fuente:
arXiv
Saved in:
| Main Authors: | Heindel, Joseph P., Sami, Selim, Head-Gordon, Teresa |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion Interactions
by: Heindel, J. P., et al.
Published: (2024)
by: Heindel, J. P., et al.
Published: (2024)
The Role of Charge in Microdroplet Redox Chemistry
by: Heindel, Joseph P., et al.
Published: (2024)
by: Heindel, Joseph P., et al.
Published: (2024)
Can Charge Transfer Across C-H...O Hydrogen Bonds Stabilize Oil Droplets in Water?
by: Zhao, Ruoqi, et al.
Published: (2025)
by: Zhao, Ruoqi, et al.
Published: (2025)
The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets
by: LaCour, R. Allen, et al.
Published: (2024)
by: LaCour, R. Allen, et al.
Published: (2024)
Water Structure and Electric Fields at the Interface of Oil Droplets
by: Shi, Lixue, et al.
Published: (2024)
by: Shi, Lixue, et al.
Published: (2024)
On the action for a charged particle moving in a magnetic field
by: Harbola, Manoj K.
Published: (2025)
by: Harbola, Manoj K.
Published: (2025)
Improved Treatment of 1-4 interactions in Force Fields for Molecular Dynamics Simulations
by: Abdullah, Aalim S., et al.
Published: (2025)
by: Abdullah, Aalim S., et al.
Published: (2025)
Quantum tomography of molecules using ultrafast electron diffraction
by: Jiang, Jiayang, et al.
Published: (2024)
by: Jiang, Jiayang, et al.
Published: (2024)
Continuous and discontinuous realizations of first-order phase transitions
by: Hempel, Matthias
Published: (2026)
by: Hempel, Matthias
Published: (2026)
Thermodynamics: Extending and Reconstructing of Classical Theoretical Framework
by: Suye, Tang
Published: (2012)
by: Suye, Tang
Published: (2012)
Ion Clustering Regulated by Extreme Nanoconfinement Enables Mechanosensitive Nanochannels
by: Zhou, Ke
Published: (2026)
by: Zhou, Ke
Published: (2026)
Near Equivalence of Polarizability and Bond Order Flux Metrics for Describing Covalent Bond Rearrangements
by: Kim, Lukas, et al.
Published: (2024)
by: Kim, Lukas, et al.
Published: (2024)
Proof of the Nernst heat theorem
by: Martín-Olalla, José-María
Published: (2024)
by: Martín-Olalla, José-María
Published: (2024)
A third law of thermodynamics is an unnecessary complexity
by: Martín-Olalla, José-María
Published: (2026)
by: Martín-Olalla, José-María
Published: (2026)
Capillary-lubrication force between rotating cylinders separated by a fluid interface
by: Jha, Aditya, et al.
Published: (2024)
by: Jha, Aditya, et al.
Published: (2024)
Singular viscoelastic perturbation to soft lubrication
by: Bharti, Bharti, et al.
Published: (2024)
by: Bharti, Bharti, et al.
Published: (2024)
Observation of Brownian elastohydrodynamic forces acting on confined soft colloids
by: Fares, Nicolas, et al.
Published: (2024)
by: Fares, Nicolas, et al.
Published: (2024)
Universal Foundations of Thermodynamics: Entropy and Energy Beyond Equilibrium and Without Extensivity
by: Beretta, Gian Paolo
Published: (2026)
by: Beretta, Gian Paolo
Published: (2026)
Teachers that teach the irrelevant: Pre-training machine learned interaction potentials with classical force fields for robust molecular dynamics simulations
by: Yuan, Eric C. -Y., et al.
Published: (2025)
by: Yuan, Eric C. -Y., et al.
Published: (2025)
Fragmentation of Virtual Orbitals for Quantum Computing: Reducing Qubit Requirements through Many-Body Expansion
by: Zahariev, Federico, et al.
Published: (2025)
by: Zahariev, Federico, et al.
Published: (2025)
Chemically decisive benchmarks on the path to quantum utility
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)
Brownian-motion approach to statistical mechanics: Langevin equations, fluctuations, and timescales
by: Dattagupta, Sushanta, et al.
Published: (2025)
by: Dattagupta, Sushanta, et al.
Published: (2025)
Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction
by: Hatch, Jeffrey P, et al.
Published: (2024)
by: Hatch, Jeffrey P, et al.
Published: (2024)
An Efficient Integrator Scheme for Sampling the (Quantum) Isobaric-Isothermal Ensemble in (Path Integral) Molecular Dynamics Simulations
by: Liang, Weihao, et al.
Published: (2025)
by: Liang, Weihao, et al.
Published: (2025)
Model density approach to Ewald summations
by: Ribaldone, Chiara, et al.
Published: (2026)
by: Ribaldone, Chiara, et al.
Published: (2026)
The Interplay of Pauli Repulsion, Electrostatics, and Field Inhomogeneity for Blueshifting and Redshifting Vibrational Probe Molecules
by: LaCour, R. Allen, et al.
Published: (2026)
by: LaCour, R. Allen, et al.
Published: (2026)
How the Hahn-Banach Theorem Sheds Bright Light on Fundamental Questions in Classical Thermodynamics
by: Feinberg, Martin, et al.
Published: (2026)
by: Feinberg, Martin, et al.
Published: (2026)
On the Anticipation of Lunar Travel in the Early 20th Century: A Pedagogical Exercise
by: Harriott, Tina A., et al.
Published: (2026)
by: Harriott, Tina A., et al.
Published: (2026)
Coupled-cluster pairing models for radicals with strong correlations
by: Lehtola, Susi, et al.
Published: (2025)
by: Lehtola, Susi, et al.
Published: (2025)
Many-Body Time Evolution from a Correlation-Efficient Quantum Algorithm
by: Rose, Michael, et al.
Published: (2025)
by: Rose, Michael, et al.
Published: (2025)
The Viscosity of Liquids in the Dual Model
by: Peluso, Fabio
Published: (2024)
by: Peluso, Fabio
Published: (2024)
Gold-Standard Chemical Database 137 (GSCDB137): A diverse set of accurate energy differences for assessing and developing density functionals
by: Liang, Jiashu, et al.
Published: (2025)
by: Liang, Jiashu, et al.
Published: (2025)
Reaching for the performance limit of hybrid density functional theory for molecular chemistry
by: Liang, Jiashu, et al.
Published: (2026)
by: Liang, Jiashu, et al.
Published: (2026)
Analytic Harmonic Tunable Closed Orbits of Trapped N-Body Systems
by: West, Joseph
Published: (2025)
by: West, Joseph
Published: (2025)
Local temperature measurement in molecular dynamics simulations with rigid constraints
by: Sanderson, Stephen, et al.
Published: (2024)
by: Sanderson, Stephen, et al.
Published: (2024)
Unveiling Intrinsic Many-Body Complexity by Compressing Single-Body Triviality
by: Liao, Ke, et al.
Published: (2024)
by: Liao, Ke, et al.
Published: (2024)
Generalization of one-center non orthogonal configuration interaction singles to open shell singlet reference states: Theory and application to valence-core pump-probe states in acetylacetone
by: Arias-Martinez, Juan E., et al.
Published: (2023)
by: Arias-Martinez, Juan E., et al.
Published: (2023)
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction
by: Greiner, Jonas, et al.
Published: (2024)
by: Greiner, Jonas, et al.
Published: (2024)
The Conundrum of Diffuse Basis Sets: A Blessing for Accuracy yet a Curse for Sparsity
by: Laqua, Henryk, et al.
Published: (2025)
by: Laqua, Henryk, et al.
Published: (2025)
Thermal stability originates the vanishing of the specific heats at the absolute zero
by: Martín-Olalla, et al.
Published: (2025)
by: Martín-Olalla, et al.
Published: (2025)
Similar Items
-
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion Interactions
by: Heindel, J. P., et al.
Published: (2024) -
The Role of Charge in Microdroplet Redox Chemistry
by: Heindel, Joseph P., et al.
Published: (2024) -
Can Charge Transfer Across C-H...O Hydrogen Bonds Stabilize Oil Droplets in Water?
by: Zhao, Ruoqi, et al.
Published: (2025) -
The Role of Interfaces and Charge for Chemical Reactivity in Microdroplets
by: LaCour, R. Allen, et al.
Published: (2024) -
Water Structure and Electric Fields at the Interface of Oil Droplets
by: Shi, Lixue, et al.
Published: (2024)