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Electronic Theses & Dissertations
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Biradicals
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Chemical bonds
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Cluster analysis
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Coupled-cluster and equation-of-motion coupled-cluster theories : applications to photochemistry and catalysis and algorithmic advances
Hansen, Jared A.
Text (2015)
Part of
Electronic Theses & Dissertations
Deterministic and semi-stochastic cc(p ; q) approaches : new developments and applications to spectroscopy and photochemistry
Yuwono, Stephen Haniel
Text (2022)
Part of
Electronic Theses & Dissertations
Single-Reference Coupled-Cluster Methods for Strongly Correlated Systems
Magoulas, Ilias
Text (2021)
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
Bauman, Nicholas P.
Text (2016)
Part of
Electronic Theses & Dissertations
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
Development and applications of coupled-cluster methods and potential energy surface extrapolation schemes
Lutz, Jesse J.
Text (2011)
Part of
Electronic Theses & Dissertations
Assessment of equation-of-motion coupled-cluster methods with approximate treatments of higher-order excitations and development of novel schemes for accurate calculations of diradical electronic spectra and bond breaking
Ajala, Adeayo Olayinka
Text (2017)
Part of
Electronic Theses & Dissertations
DEVELOPMENT AND APPLICATIONS OF SEMI-STOCHASTIC COUPLED-CLUSTER METHODS FOR OPEN-SHELL SYSTEMS AND ELECTRONIC EXCITATIONS IN MOLECULES
Chakraborty, Arnab
Text (2024)
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Electronic Theses & Dissertations
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