Scalable Fault Tolerant Algorithms for Linear-Scaling Coupled-Cluster Electronic Structure Methods

نویسندگان

  • Ida Nielsen
  • Curtis Janssen
  • Matt Leininger
چکیده

By means of coupled-cluster theory, molecular properties can be computed with an accuracy often exceeding that of experiment. The high-degree polynomial scaling of the coupled-cluster method, however, remains a major obstacle

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تاریخ انتشار 2004