S. Rasti

most citedTransferable Potential Function for Flexible H

_{2}

O Molecules Based on the Single Center Multipole Expansion

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physics.comp-ph2020★ 3 cited

Transferable Potential Function for Flexible H $_{2}$ O Molecules Based on the Single Center Multipole Expansion

Elvar Örn Jónsson, Soroush Rasti, Marta Galynska +2

A potential function is presented for describing a system of flexible H $_{2}$ O molecules based on the single center multipole expansion (SCME) of the electrostatic interaction. The m…

Transferable Potential Function for Flexible H2​O Molecules Based on the Single Center Multipole Expansion

Transferable Potential Function for Flexible H $_{2}$ O Molecules Based on the Single Center Multipole Expansion