Angular gausslets plus radial gausslets yield an atom-centered basis with two-index-diagonal Coulomb interactions, enabling DMRG of Be to ~0.1 mH of the CBS exact energy.
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Angular Gausslets
Angular gausslets plus radial gausslets yield an atom-centered basis with two-index-diagonal Coulomb interactions, enabling DMRG of Be to ~0.1 mH of the CBS exact energy.