Towards the Solution of the Many-Electron Problem in Real Materials: Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods

著者: Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan, John A. Gomez, Emanuel Gull, Sheng Guo, Carlos A. Jiménez-Hoyos, Tran Nguyen Lan, Jia Li, Fengjie Ma, Andrew J. Millis, Nikolay V. Prokof’ev, Ushnish Ray, Gustavo E. Scuseria, Sandro Sorella, Edwin M. Stoudenmire, Qiming Sun, Igor S. Tupitsyn, Steven R. White, Dominika Zgid, Shiwei Zhang - Physical Review X 2017 被引用: 237

Understanding the collective behavior of many interacting electrons is a key challenge in fundamental physics and materials design. A benchmark study characterizes the accuracy and abilities of 16 methods for many-electron computations and applies these insights to determining the equation of state for an infinite chain of hydrogen atoms.