Ammm:Mm aplus: Difference between revisions
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Created page with "=== SATP === === Charge flux === === Charge penetration === http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00267 === Charge transfer ===" |
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=== Introduction === | |||
One is recommended to read through and understand the background knowledge of polarizable force field AMOEBA, in order to have a better learning experience of the next generation AMOEBA+ force field. As indicated by the name, AMOEBA+ is based on the AMOEBA model with several incoporation of essential physical effects that are missing. Briefly, AMOEBA+ functional form has been designed by following the intermolecular interaction theory described by SAPT (Symmetry Adapted Perturbation Theory). | |||
=== SATP === | === SATP === | ||
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=== Charge transfer === | === Charge transfer === | ||
=== Polarization and van der Waals === | |||
Revision as of 15:11, 25 May 2022
Introduction
One is recommended to read through and understand the background knowledge of polarizable force field AMOEBA, in order to have a better learning experience of the next generation AMOEBA+ force field. As indicated by the name, AMOEBA+ is based on the AMOEBA model with several incoporation of essential physical effects that are missing. Briefly, AMOEBA+ functional form has been designed by following the intermolecular interaction theory described by SAPT (Symmetry Adapted Perturbation Theory).
SATP
Charge flux
Charge penetration
http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b00267