?url_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.relation=http%3A%2F%2Fd-scholarship-dev.library.pitt.edu%2F22666%2F&rft.title=Theoretical+Studies+of+Nonvalence+Correlation-Bound+Anion+States&rft.creator=Voora%2C+Vamsee&rft.description=Nonvalence+correlation-bound+anion+states+have+been+investigated+using+state-of-the-art+ab+initio+methodologies+as+well+as+by+model+potential+approaches.+In+nonvalence+correlation-bound+anion+states+the+excess+electron+occupies+a+very+extended+orbital+with+the+binding+to+the+molecule+or+cluster+being+dominated+by+long-range+correlation+effects.+Failure+of+conventional+Hartree-Fock+reference+based+approaches+for+treating+these+anionic+states+is+discussed.+Ab+initio+approaches+that+go+beyond+Hartree-Fock+orbitals%2C+such+as+Green's+functions%2C+and+equation-of-motion+methods+are+used+to+characterize+nonvalence+correlation-bound+anion+states+of+a+variety+of+systems.+The+existence+of+nonvalence+correlation-bounds+is+established+for+C60+and+C6F6.+Edge-bound+nonvalence+correlation-bound+anionic+states+are+also+established+for+polycyclic+aromatics.+Accurate+one-electron+model+potential+approaches%2C+parametrized+using+the+results+of+ab+initio+calculations%2C+are+developed.+The+model+potentials+are+used+to+study+nonvalence+correlation-bound+anion+states+of+large+water+clusters+as+well+as+%22superatomic%22+states+of+fullerene+systems.&rft.date=2014-09-25&rft.type=University+of+Pittsburgh+ETD&rft.type=PeerReviewed&rft.format=application%2Fpdf&rft.language=en&rft.identifier=http%3A%2F%2Fd-scholarship-dev.library.pitt.edu%2F22666%2F1%2FVKVoora_PhD_thesis.pdf&rft.identifier=++Voora%2C+Vamsee++(2014)+Theoretical+Studies+of+Nonvalence+Correlation-Bound+Anion+States.++Doctoral+Dissertation%2C+University+of+Pittsburgh.++++(Unpublished)++