https://www.selleckchem.com/pr....oducts/luzindole.htm
Using these optimized basis sets, we systematically converge the AFQMC calculations to the complete basis set and thermodynamic limit and find excellent agreement with experiment for the systems studied. Although we focus on AFQMC, our basis set generation procedure is independent of the subsequent correlated wavefunction method used.Temperature-dependent thermal conductivities are reported for one-dimensional (1D) hydrogen-bonding ferroelectric crystals of isostructural compounds NH4HSO4 and RbHSO4. As the temperature was decreased f
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