Electronic Structure Calculation

• M. Fukuda, B.J. Braams, M. Nakata, M.L. Overton, J.K. Percus, M. Yamashita and Z. Zhao
  Large-Scale Semidefinite Programs in Electronic Structure Calculation
  Math. Programming 109 (2007), pp. 553-580.
  Published Article
  Copy of Published Article (pdf)

• Z. Zhao, B.J. Braams, M. Fukuda, M.L. Overton and J.K. Percus
  The Reduced Density Matrix Method for Electronic Structure Calculations and the Role of Three-Index Representability
  Journal of Chemical Physics 120 (2004), pp. 2095-2104
  Published Article
  PDF (original submission)
  

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