Academic Unit: Chemical Physics / Degree Level: Doctoral | Search Results | Academic Commons

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1. Anharmonic Phonon Behavior using Hamiltonian constructed via Irreducible Derivatives

: Xiao, Enda
: 2023
: Theses
: Condensed matterPhononsHamiltonian systemsX-rays--ScatteringHartree-Fock approximationQuasiparticles (Physics)Perturbation (Mathematics)Green's functions

2. Developments in Auxiliary Field Quantum Monte Carlo for Molecules

: Weber, John Landstrom
: 2023
: Theses
: ChemistryMoleculesMetallocenesMonte Carlo methodAnthraceneTransition metals

3. Structure and Dynamics in Electron-Phonon Coupled Materials

: Robinson, Paul Joseph Pagano
: 2023
: Theses
: ChemistryElectron-phonon interactionsSuperconductivityPolarons

4. Applications of Coupled Cluster Theory to Models of Extended Systems of Fermions

: Callahan, James Michael
: 2022
: Theses
: Cluster theory (Nuclear physics)FermionsElectron gasPlasmons (Physics)

5. Stochastic Electronic Structure Methods for Molecules and Crystalline Solids

: Greene, Samuel Martin
: 2022
: Theses
: ChemistryPhysicsMonte Carlo methodStochastic processesSchrödinger equationHamiltonian systemsExciton theory

6. Computational Methods for the Calculation of Electrochemical Properties and pKa Predictions

: Coskun, Dilek
: 2021
: Theses
: ChemistryChemistry, Physical and theoreticalDrugs--ResearchCatalysisElectrochemistryIonization constants

7. Dynamics and spectroscopy of strongly coupled electrons and nuclei

: Fetherolf, Jonathan Holmes
: 2021
: Theses
: Chemistry, Physical and theoreticalSpectrum analysisElectronsPerturbation (Quantum dynamics)Nuclear physicsPolaronsOrganic semiconductorsVibrational spectra

8. Investigating electron transfer across single-molecule junctions

: Gunasekaran, Suman
: 2021
: Theses
: MicrophysicsNanoscienceChemistry, Physical and theoreticalElectron transportScanning tunneling microscopyMolecular orbitalsPhotoconductivity

9. Numerically exact quantum dynamics of low-dimensional lattice systems

: Kloss, Benedikt
: 2021
: Theses
: Condensed matterLattice theoryQuantum theoryElectron-phonon interactions

10. Singlet Fission: A Twisted Tale

: Conrad-Burton, Felisa
: 2021
: Theses
: Chemistry, Physical and theoreticalPower resourcesExciton theorySolar energyNuclear fissionRenewable energy sources