Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations
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By Tran Thi Thu Hanh (Editor), Vo Khuong Dien (Editor), Ngoc Thanh Thuy Tran (Editor), Ching-Hong Ho (Editor), Thi Dieu Hien Nguyen (Editor), Ming-Fa Lin (Editor)
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Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations thoroughly explores the rich and unique quasiparticle properties of emergent materials through a VASP-based theoretical framework. Evaluations and analyses are conducted on the crystal symmetries, electronic energy spectra/wave functions, spatial charge densities, van Hove singularities, magnetic moments, spin configurations, optical absorption structures with/without excitonic effects, quantum transports, ...


