Angular gausslets paired with radial gausslets form a basis enabling DMRG calculations of the Be atom to 0.1 mH of the exact complete-basis-set energy.
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physics.chem-ph 2years
2026 2verdicts
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Radial gausslets extend 1D gausslets to 3D radial coordinates, producing compact atomic basis sets with diagonal interactions that work well for Hartree-Fock and exact diagonalization.
citing papers explorer
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Angular Gausslets
Angular gausslets paired with radial gausslets form a basis enabling DMRG calculations of the Be atom to 0.1 mH of the exact complete-basis-set energy.
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Radial Gausslets
Radial gausslets extend 1D gausslets to 3D radial coordinates, producing compact atomic basis sets with diagonal interactions that work well for Hartree-Fock and exact diagonalization.