A Second-Variational Prediction Operator for Fast Convergence in Self-Consistent Electronic-Structure Calculations
Author:
Affiliation:
1. Sumitomo Electric Industries, Ltd.
2. National Institute of Advanced Industrial Science and Technology
Publisher
Japan Institute of Metals
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Link
https://www.jstage.jst.go.jp/article/matertrans/45/5/45_5_1422/_pdf
Reference69 articles.
1. 1) W. Kohn and L.J. Sham: Phys. Rev. 140 (1965) A1133-A1138.
2. 2) D.D. Koelling: Rep. Prog. Phys. 44 (1981) 139-212.
3. 3) G.P. Srivastava and D. Weaire: Adv. Phys. 36 (1987) 463-517.
4. 4) J. Ihm: Rep. Prog. Phys. 51 (1988) 105-142.
5. 5) W.E. Pickett: Comput. Phys. Rep. 9 (1989) 115-197.
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