First-Principles Spectroscopy
Mean-Field Theory: Density Functional Theory
Many-Body Perturbation Theory: Quasiparticle GW approximation +Bethe-Salpeter Equation
Lattice Dynamics: Phonon dispersions, Raman spectrum
Defect Engineering: Unfolding scheme
Hsueh's Group
Welcome to the homepage of Prof. Hung-Chung Hsueh' group at Department of Physics of Tamkang University.
Our group is interested in exploring unique physical properties and calculating spectroscopies of novel condensed matter systems using advanced first-principles methodologies.
Based on the mean-field theory , the ground-state properties (valance band structures, cohesive energies, etc.) of materials can be obtained by mapping a many-electron Schrödinger equation to an equivalent single-electron Kohn-Sham equation within the scheme of Density Functional Theory (DFT).
In order to simulate the state-of-the-art spectroscopies (optical absorption, phonon spectrum, Raman spectrum, NIXS, etc.), first-principles excitation calculations in the framework of many-body perturbation theory have been performed.
Furthermore, we also developed useful programs and toolkits to post process the calculated information for further study of new materials.
歡迎來到淡江大學物理系薛宏中教授的團隊,我們的團隊以第一原理電子結構計算,研究新穎凝態系統之各類特殊性質。
在基態性質方面,我們根據平均場理論,透過"密度泛函理論"以及平面波為基礎,將多電子系統的薛丁格方程式,轉換成單電子系統之Kohn-Sham方程式,以計算材料之電子結構。進而由第一原理激發態計算,模擬先進實驗能譜。
另外我們也有開發一些為"密度泛函理論"計算軟體做後處理的小工具,以便用於進一步的物理性質分析。