Correlated Positron-Electron Orbital (CPEO): A Novel Method that Models Positron-Electron Correlation in Virtual PS at the Mean-Field Level
[Technical Report, Doctoral Thesis]
AIR FORCE INSTITUTE OF TECHNOLOGY WRIGHT-PATTERSON AFB OH
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The Correlated Positronic-Electronic Orbital CPEO method was developed and implemented to capture correlation effects at between the positron and electron in the modeling of systems that involve a bound positron. Methods that effectively model these systems require many hundred basis functions and use a mean field approach as the beginning step. CPEO builds an orbital for virtual Positronium Ps that contains a positron in a bound state along with an accompanying electron to the larger system. Assigning the virtual Ps orbital allows for the two particle variational optimization in conjunction with the other particles that compose the whole system. This novel method required the mathematical development of Fock-operators for each of the three distinct Atomic Orbitals AO used in the model. Thus, the CPEO method required the solution of these three coupled Fock-operators. This approach results in the successful capture of positron-electron Coulomb correlation in a mean field method.
- Nuclear Physics and Elementary Particle Physics