Lattice Relaxation Effects on the Multiplet Energies of Ruby Under Pressure using One-Electron Calculations
Mega Novita (a*), Nur Cholifah (b), Kazuyoshi Ogasawara (c)
a) Faculty of Engineering and Informatics, Universitas PGRI Semarang, Jl. Sidodadi-Timur No.24 Semarang, Central Java 50232, Indonesia
*novita[at]upgris.ac.id
b) Lembaga Penelitian dan Pengabdian Kepada Masyarakat, Universitas PGRI Semarang, Jl. Lontar No.1 Semarang, Central Java 50232, Indonesia
c) School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen Sanda, Hyogo 669-1337 Japan
Abstract
Keywords: pressure, first-principles, CASTEP, a-Al2O3
Topic: DV-Xa Method
Link: https://ifory.id/abstract/uYLHZTGXadkB
Conference: THE 7th INTERNATIONAL CONFERENCE ON DV-X? METHOD (ICDM 2019)
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