The Effect of the Combination of Basis and Functional on the Results of DFT-calculation of Atomic Structure of Silicon-Hafnium Anionic Clusters-Reference-Cited by-同舟云学术

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The Effect of the Combination of Basis and Functional on the Results of DFT-calculation of Atomic Structure of Silicon-Hafnium Anionic Clusters

Published:2023-07-01 Issue: Volume:72 Page:1-7
ISSN:
Container-title:2023 Applied Mathematics, Computational Science and Mechanics: Current Problems (AMCSM)
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Author:

Borshch Nadezda¹,Pereslavtseva Natalia²,Kurganskii Sergei³,Maksimova Ekaterina¹

Affiliation:

1. Voronezh State Technical University,Department of Higher Mathematics and Physical and Mathematical Modeling,Voronezh,Russia

2. Voronezh State Technical University,Department of Applied Mathematics and Mechanics,Voronezh,Russia

3. Voronezh State University,Department of Solid State Physics and Nanostructures,Voronezh,Russia

Publisher

IEEE

Link

http://xplorestaging.ieee.org/ielx7/10525678/10525705/10526178.pdf?arnumber=10526178

Reference42 articles.

1. Clusters, Superatoms, and Building Blocks of New Materials

2. Colloidal nanoparticle clusters: functional materials by design

3. The high-throughput highway to computational materials design

4. Molecular Clusters: Nanoscale Building Blocks for Solid-State Materials

5. Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

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