【摘 要】
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In this talk,we describe a systematic way of computing a globallyadapted Tucker-type basis for solving the Kohn-Sham DFT eigenvalue problem,by using a separable approximation of the Kohn-Sham Hamilton
【机 构】
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Univ.of Michigan Ann Arbor Univ.of Michigan
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In this talk,we describe a systematic way of computing a globallyadapted Tucker-type basis for solving the Kohn-Sham DFT eigenvalue problem,by using a separable approximation of the Kohn-Sham Hamiltonian.The rank of the Tucker representation and the computational complexity of the resulting self-consistent DFT calculations using these Tucker basis are examined on representative benchmark examples involving metallic and insulating systems.
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