On short-ranged pair-potentials for long-range electrostatics-Reference-Cited by-同舟云学术

On short-ranged pair-potentials for long-range electrostatics

Published:2019 Issue:44 Volume:21 Page:24787-24792
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Stenqvist Björn¹²³⁴^ORCID,Lund Mikael⁵²³⁴⁶^ORCID

Affiliation:

1. Division of Physical Chemistry

2. Lund University

3. SE-22100 Lund

4. Sweden

5. Division of Theoretical Chemistry

6. LINXS – Lund Institute of Advanced Neutron and X-ray Science

Abstract

Fast and accurate summation of long-range electrostatics by using a short-ranged pair-potential that ensures moment cancellation in the cutoff sphere.

Funder

Vetenskapsrådet

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03875B

Reference33 articles.

1. Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation

2. Isotropic periodic sum: A method for the calculation of long-range interactions

3. Molecular dynamics scheme for precise estimation of electrostatic interaction via zero-dipole summation principle

4. Electrostatic pair-potentials based on the Poisson equation

5. Die Berechnung optischer und elektrostatischer Gitterpotentiale

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