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Ab initio molecular dynamics : applications to defective silicon nanocrystals and developments toward dense manifold systems

Ab initio molecular dynamics : applications to defective silicon nanocrystals and developments toward dense manifold systems

Text (2019)

Part of Electronic Theses & Dissertations

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