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Collection: Electronic Theses & Dissertations
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Keyword: Coupled-Cluster
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Program of Study: Chemistry
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Material Type
Theses
2
Language
English
2
Copyright Status
In Copyright
2
Subject
Chemistry, Physical and theoretical--Research
1
Mathematical models
1
Molecular dynamics
1
Potential energy surfaces
1
Quantum chemistry
1
Wave functions
1
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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
Bauman, Nicholas P.
Text (2016)
Part of
Electronic Theses & Dissertations
Development and applications of coupled-cluster methods and potential energy surface extrapolation schemes
Lutz, Jesse J.
Text (2011)
Part of
Electronic Theses & Dissertations
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