array(2) { ["lab"]=> string(2) "56" ["research"]=> string(2) "36" } Lower Scaling Excited state Methods - Electronic Structure Theory Group IIT Bombay | LabXing

Electronic Structure Theory Group IIT Bombay

Lower Scaling Excited state Methods

Local correlation techniques is one of the most active field of quantum chemical reseach.  However, local correlation methods donot work well for excited states as they are non-local by nature. We use an unique combination of natural orbitals, similarity transformation techniques and sem-numerical approximations to reduce the computional scaling of wave-function based excited states methods.

 

创建: Jan 27, 2018 | 07:50