Yun ZHOU
Beijing Computational Science Research Center
Abstract: In usual quantum chemistry simulation, nucleus are fixed to certain configuration to solve the electronic state. To include the movement of the nucleus without referring to unaffordable computational resourses, approximations are introduced to treat nucleus with Newtonian mechanics, benefited from the significant difference between nucleus and electrons. The talk will give a glance on this basic problem of quantum chemistry and is hoped to attract some interest from physicists and mathematicians to this important problem.  
Location: 606 Conference Room
Date and time: Feb 3, 2012   14:30