Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory-Reference-Cited by-同舟云学术

Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory

Published:2017-11 Issue: Volume:220 Page:143-149
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Yen Tsung-Wen^ORCID,Lim Thong-Leng,Yoon Tiem-Leong,Lai S.K.

Funder

Ministry of Science and Technology

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference52 articles.

1. Lattice relaxation at a metal surface

2. Global structure optimization study on Au 2-20

3. Use of density functional theory method to calculate structures of neutral carbon clusters Cn (3 ≤ n ≤ 24) and study their variability of structural forms

4. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon

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