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Showing 1 to 2 of 2 for “"Twist-averaged boundary condition (TABC)"”.

  1. Quantum Monte Carlo: Applications of the Twist -Averaged Boundary Conditions and the Calculation of Forces

    Zong, FenghuaUniversity of Illinois at Urbana-Champaign2015

    … small system in a super cell geometry. Periodic boundary condition is commonly used in such a setup which leads to large and fluctuating finite size error. Twist-averaged boundary condition (TABC) averages over all the possible twist angles in the boundary condition and could significantly reduce …

    uiuc Repository record

  2. Quantum Monte Carlo: Applications of the Twist-averaged Boundary Conditions and the Calculation of Forces

    Zong, Fenghua2011

    … small system in a super cell geometry. Periodic boundary condition is commonly used in such a setup which leads to large and fluctuating finite size error. Twist-averaged boundary condition(TABC) averages over all the possible twist angles in the boundary condition and could significantly reduce …

    uiuc Repository record