For example, electronically excited states can be described when the reference corresponds to the ground state wave function, and operators conserve the.
28+ Coupled Cluster Reference Function
Images. 1,2 the cc wave operator transforming the reference function, φo, into the exact wave function has the exponential form The coupled cluster approach is one of the most accurate and reliable quantum chemical techniques for including the effects of electron correlation.
(PDF) Relativistic multireference coupled-cluster theory ... from i1.rgstatic.net
It is based on a perturbative expansion but leads to non linear coupled equations. Phys., 135, 044121, 2011) to study doubly ionized systems has been applied to describe the ground and excited state potential energy curves (pecs) of the hf molecule. Use optics clustering in conjunction with the.
Reference coupled cluster approach ii.
I know that coupled cluster (cc) is not variational for the general case. For example, electronically excited states can be described when the reference corresponds to the ground state wave function, and operators conserve the. To compute the cc energy. Wim klopper and david p.
