Ab Initio Analysis of Silicon Nano-Clusters
Author:
Affiliation:
1. Departments of †Chemical Engineering, ‡Materials Science and Engineering, and §Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp410975s
Reference73 articles.
1. Dorsett, H.; White, A.Overview of Molecular Modelling and Ab Initio Molecular Orbital Methods Suitable for Use with Energetics Materials;DSTO Aeronautical and Maritime Research Laboratory:Salisnury, 2000; pp1–39.
2. Density Functional and Density Matrix Method Scaling Linearly with the Number of Atoms
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Inhomogeneous Electron Gas
5. Seminario, J. M.Modern Density Functional Theory: A Tool for Chemistry;Elsevier:Amsterdam, 1995; pp1–405.
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