An algorithm for large scale density matrix renormalization group calculations.

نویسنده

  • Garnet Kin-Lic Chan
چکیده

We describe in detail our high-performance density matrix renormalization group (DMRG) algorithm for solving the electronic Schrodinger equation. We illustrate the linear scalability of our algorithm with calculations on up to 64 processors. The use of massively parallel machines in conjunction with our algorithm considerably extends the range of applicability of the DMRG in quantum chemistry.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 120 7  شماره 

صفحات  -

تاریخ انتشار 2004