92376845.439

The correlation functional based on HF 2nd-order density matrix


Rice University

���������CG E Scuseria



Abstract


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The correlation functional based on the HF 2nd order density matrix is often used in DFT calculations. Though this functional is derived approximately,it reproduces the experimental correlation energy very well. In this paper,we will show you the analyses of the correlation functional and talk about the new correlation functional incorporating kinetic correlation effect.