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More is different: multi-method studies of many-electron systems
Speaker: Shiwei Zhang, Flatiron Institute
Title: More is different: multi-method studies of many-electron systems
Abstract:
Capturing the effects of interacting electrons is essential for understanding and predicting material properties. Reliable treatment of the many-electron Schrodinger equation is thus a central theme in modern physics and chemistry, and an outstanding challenge. Recent collaborative studies combining multiple cutting-edge computational methods have led to significant progress on several fronts. I will discuss an in-depth study of the quantum-mechanical ground state of what is perhaps the simplest realistic model for a bulk material: an infinite chain of equally spaced hydrogen atoms. Our study reveals a rich phase landscape, including dimerization, metal-insulator transition, and magnetic phases. The hydrogen chain will serve as a key benchmark for further methodological developments and an important model for correlated electron systems beyond the Hubbard model. The results will motivate experimental realizations and stimulate further efforts to characterize phase diagrams of low-dimensional materials.
Host: Jed Pixley
