Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed Phase

Journal of Chemical Theory and Computation - United States
doi 10.1021/acs.jctc.6b00335
Full Text
Abstract

Available in full text

Date
Authors
Publisher

American Chemical Society (ACS)

Related search

Advanced Potential Energy Surfaces for Condensed Phase Simulation

Annual Review of Physical Chemistry
Theoretical ChemistryPhysical
2014English

Classical Polarizable Force Field for Clays: Pyrophyllite and Talc

Journal of Physical Chemistry C
SurfacesEnergyNanoscienceTheoretical ChemistryOpticalMagnetic MaterialsFilmsNanotechnologyElectronicCoatingsPhysical
2016English

Understanding the Many-Body Expansion for Large Systems. III. Critical Role of Four-Body Terms, Counterpoise Corrections, and Cutoffs

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2013English

Evolving Nuclear Many-Body Forces With the Similarity Renormalization Group

Physical Review C
2011English

(The Physics of Cellular Automata and Coherence and Chaos in Classical Many-Body Systems)

1992English

Development of Many-Body Polarizable Force Fields for Li-Battery Components: 1. Ether, Alkane, and Carbonate-Based Solvents

English

On the Radius of Convergence for Multipole Expansion

1989English

Development of Many-Body Polarizable Force Fields for Li-Battery Components: 1. Ether, Alkane, and Carbonate-Based Solvents

English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy