Published March 14, 2018 | Version v1
Journal article

Surface charge method for molecular surfaces with curved areal elements I. Spherical triangles

Creators

  • 1. National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894 (United States)

Description

Parametrizing a curved surface with flat triangles in electrostatics problems creates a diverging electric field. One way to avoid this is to have curved areal elements. However, charge density integration over curved patches appears difficult. This paper, dealing with spherical triangles, is the first in a series aiming to solve this problem. Here, we lay the ground work for employing curved patches for applying the surface charge method to electrostatics. We show analytically how one may control the accuracy by expanding in powers of the the arc length (multiplied by the curvature). To accommodate not extremely small curved areal elements, we have provided enough details to include higher order corrections that are needed for better accuracy when slightly larger surface elements are used. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1361-648X/aaab2b

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Physics. Condensed Matter
Journal Volume
30
Journal Issue
10
Journal Page Range
[28 p.]
ISSN
0953-8984
CODEN
JCOMEL

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
52047362
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
ACCURACY; CHARGE DENSITY; DIAGRAMS; ELECTRIC FIELDS; ELECTROSTATICS; LENGTH; SPHERICAL CONFIGURATION; SURFACES
Descriptors DEC
CONFIGURATION; DIMENSIONS; INFORMATION