Ab Initio Analysis and Harmonic Force Fields of Gallium Nitride Nanoclusters
Author:
Affiliation:
1. Department of Chemical Engineering, ‡Materials Science and Engineering Graduate Program, and §Department of 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/jp201004w
Reference90 articles.
1. Ab initio molecular orbital theory
2. Density Functional and Density Matrix Method Scaling Linearly with the Number of Atoms
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Quantum Density Oscillations in an Inhomogeneous Electron Gas
5. Density-Functional Theory for Time-Dependent Systems
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