Clifford Boundary Conditions: A Simple Direct-Sum Evaluation of Madelung Constants
Author:
Affiliation:
1. Laboratoire de Chimie et Physique Quantiques, IRSAMC, CNRS, Université de Toulouse, UPS, Toulouse 31062, France
2. Università di Bologna, via Zamboni 33, Bologna 40126, Italy
3. European Theoretical Spectroscopy Facility (ETSF),
Funder
Agence Nationale de la Recherche
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.0c01684
Reference26 articles.
1. Development of the cyclic cluster approach for ionic systems
2. Fundamental solution of the Laplacian on flat tori and boundary value problems for the planar Poisson equation in rectangles
3. Computation of the Madelung constant for hypercubic crystal structures in any dimension
4. A simple position operator for periodic systems
5. On the Stability of Certain Heteropolar Crystals
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