The multiplet excitations of rare-earth nitride in QSGW

Presentation information

Oral Session

A. Fundamentals » [A-1] New Methodology for Developing Innovative Materials

Tue. Dec 12, 2023 2:00 PM - 4:00 PM Session 5 (Room E)

Chair: Naoki Ohashi (National Institute for Materials Science)

3:00 PM - 3:20 PM

*Katsuhiro Suzuki¹, Takao Kotani², Kazunori Sato¹ (1. Osaka Univ. (Japan), 2. Tottori Univ. (Japan))

Keywords:f-orbital, rare-earth, DFT, QSGW, strongly correlated system

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