MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
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New approximations to the Riemann zeta function and its derivative are created by approximating the remainder term of the Riemann-Siegel formula with elementary functions and Gaussian quadrature coefficients, backed by numerical tests.
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Reduction of finite-size effects for second-order M{\o}ller-Plesset perturbation theory with singularity subtraction
MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
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Simple and accurate approximations to the Riemann zeta function
New approximations to the Riemann zeta function and its derivative are created by approximating the remainder term of the Riemann-Siegel formula with elementary functions and Gaussian quadrature coefficients, backed by numerical tests.