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Merging active-space and renormalized coupled-cluster methods via the CC(P;Q) formalism, with applications to chemical reaction profiles and singlet-triplet gaps

Merging active-space and renormalized coupled-cluster methods via the CC(P;Q) formalism, with applications to chemical reaction profiles and singlet-triplet gaps

Bauman, Nicholas P.

Text (2016)

Part of Electronic Theses & Dissertations

Approaching exact quantum chemistry by stochastic wave function sampling and deterministic coupled-cluster computations

Approaching exact quantum chemistry by stochastic wave function sampling and deterministic coupled-cluster computations

Deustua Stahr, Jorge Emiliano

Text (2020)

Part of Electronic Theses & Dissertations