Diffusion and reptation quantum Monte Carlo study of the NaK molecule
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DOI: 10.1080/00268976.2018.1543900
Abstract: ABSTRACT Diffusion Monte Carlo (DMC) and Reptation Monte Carlo (RMC) methods, have been applied to study some properties of the NaK molecule. Hartree–Fock (HF), Density Functional (DFT) and single and double configuration interaction (SDCI) wavefunctions… read more here.
Keywords: monte carlo; nak molecule; quantum monte; carlo ... See more keywords