An Efficient and Accurate Approach to Strongly Correlated Materials
Offered By: MuST Program for Disordered Materials via YouTube
Course Description
Overview
Explore an innovative approach to simulating strongly correlated materials in this 53-minute lecture by Prof. Tsung-Han Lee from National Chung Cheng University. Delve into the rotationally-invariant slave-boson (RISB) method and its combination with density functional theory (DFT+RISB) for studying strong correlation effects. Discover the limitations of RISB's accuracy and learn about the ghost-rotationally-invariant slave-boson (g-RISB) method, which introduces auxiliary ghost orbitals to enhance precision. Examine case studies of transition metal oxides where DFT+RISB requires unrealistic Coulomb parameters, and see how DFT+g-RISB offers a systematic solution for accurate material descriptions using realistic interactions. Compare the accuracy and efficiency of g-RISB with dynamical mean-field theory (DMFT), weighing their respective advantages and disadvantages in simulating strongly correlated systems.
Syllabus
An Efficient and Accurate Approach to Strongly Correlated Materials
Taught by
MuST Program for Disordered Materials
Related Courses
Stochastic Density Functional Theory - IPAM at UCLAInstitute for Pure & Applied Mathematics (IPAM) via YouTube High-Throughput Spectroscopy and Material Discovery by Beyond-DFT Work and Data-Analysis
Institute for Pure & Applied Mathematics (IPAM) via YouTube Twisted Transition Metal Dicalcogenides - Tests of Quantum Embedding and Theories
Institute for Pure & Applied Mathematics (IPAM) via YouTube Atomistic-Scale Simulations of Realistic, Complex, Reactive Materials
Kavli Institute for Theoretical Physics via YouTube Making Materials on the Computer
International Centre for Theoretical Sciences via YouTube