Madelung fields from optimized point charges forab initiocluster model calculations on ionic systems-Reference-Cited by-同舟云学术

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Madelung fields from optimized point charges forab initiocluster model calculations on ionic systems

Published:1993-06 Issue:6 Volume:14 Page:680-684
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Sousa C.,Casanovas J.,Rubio J.,Illas F.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference24 articles.

1. Simple and perovskite oxides of transition-metals: Why some are metallic, while most are insulating

2. Band gaps and electronic structure of transition-metal compounds

3. NATOASI Series B: Physics;Pacchioni,1992

4. E. Lorda F. Illas J. Rubio J.B. Torrance

5. Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts

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1. Periodic Bootstrap Embedding;Journal of Chemical Theory and Computation;2023-05-08

2. The Madelung constant in N dimensions;Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences;2022-11

3. Clifford boundary conditions for periodic systems: the Madelung constant of cubic crystals in 1, 2 and 3 dimensions;Theoretical Chemistry Accounts;2021-07-14

4. Clifford Boundary Conditions: A Simple Direct-Sum Evaluation of Madelung Constants;The Journal of Physical Chemistry Letters;2020-07-31

5. Cluster embedding of ionic systems: Point charges and extended ions;The Journal of Chemical Physics;2019-07-28

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