Enhanced efficiency when determining band gap in solids
Tuesday, November 23, 2010 - 09:00
in Physics & Chemistry
(PhysOrg.com) -- "With density functional theory, we are able to put different elements in a computer simulation and do calculations based on quantum mechanics to find out about their different properties," Maria Chan tells PhysOrg.com. However, density functional theory is not entirely helpful in identifying all the properties associated with different compounds.