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Subject: Quantum chemistry
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Electronic Theses & Dissertations
10
Language
English
10
Copyright Status
Creative Commons Licensed
3
In Copyright
7
Subject
Atomic structure--Mathematical models
1
Biradicals
1
Chemical bonds
1
Chemistry, Physical and theoretical--Research
1
Chemistry--Mathematics
1
Density functionals
1
Electronic structure
1
Excited state chemistry
1
Graphics processing units
1
High performance computing
1
Homogeneous catalysis
1
Machine learning
1
Many-body problem--Approximation methods
2
Many-body problem--Numerical solutions
1
Molecular dynamics
3
Nitrides
1
Photochemistry
2
Potential energy surfaces
2
Spectrum analysis
1
Wave functions
1
Wave mechanics
1
Wavelets (Mathematics)
1
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Wavelet scattering and graph representations for atomic structures
Brumwell, Xavier
Text (2021)
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
Harnessing the power of graphics processing units to accelerate computational chemistry
Miao, Yipu
Text (2015)
Part of
Electronic Theses & Dissertations
Addressing wave function discontinuities at conical intersections and novel charge transfer processes in nanomaterials
Meek, Garrett A.
Text (2016)
Part of
Electronic Theses & Dissertations
Graphical processing unit acceleration and development of multireference quantum chemical methods
Fales, Bryan Scott
Text (2017)
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
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
Development and application of effective quantum chemical strategies
Patel, Prajay
Text (2019)
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
Computational developments for ab initio many-body theory
Lietz, Justin Gage
Text (2019)
Part of
Electronic Theses & Dissertations
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