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most citedTailoring CIPSI expansions for QMC calculations of electronic excitations: the case study of thiophene

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physics.class-ph2021★ 29 cited

Tailoring CIPSI expansions for QMC calculations of electronic excitations: the case study of thiophene

Monika Dash, Saverio Moroni, Claudia Filippi +1

The perturbatively selected configuration interaction scheme (CIPSI) is particularly effective in constructing determinantal expansions for quantum Monte Carlo (QMC) simulations wi…