The Wigner Monte Carlo method for Density Functional Theory
主 题: The Wigner Monte Carlo method for Density Functional Theory
报告人: Prof. Jean Michel Sellier (Bulgarian Academy of Sciences)
时 间: 2015-01-22 14:30-15:30
地 点: 英国威廉希尔公司理科1号楼1560S室（主持人：邵嗣烘）
We extend the Wigner Monte Carlo method to the quantum many-body problems. By introducing the same of approximations as in Density Functional Theory (DFT), it is possible to substitute the Kohn-Sham systems with a corresponding set of Wigner equations. For validation purposes, we apply the method to atoms such as Lithium, Boron and Hydrogen. A H2 molecule is also studied to show the appearance of chemical bonds predicted by the method.
