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Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the

Masato Kobayashi1, Yutaka Imamura, Hiromi Nakai

  • 1Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo 169-8555, Japan.

The Journal of Chemical Physics
|August 28, 2007
PubMed
Summary

A new divide-and-conquer (DC) method accurately estimates correlation energy using subsystem calculations. This approach, termed DC-MP2, significantly reduces computational cost compared to traditional methods.

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