Date of Award
Master of Science (MS)
This thesis is a review of the work performed to assist future studies in the Ion Trapping Lab. This includes the results of calculations using ab initio quantum chemistry techniques on the CaH+ molecular ion. Ground state potential energy surfaces of the CaH+ molecular ion for geometries 0.5Å≤ R ≤ 10.45Å in steps of 0.05Å were calculated using correlation consistent basis sets at the CCSD and CCSD(T) level of theory. The dependence of SCF, CCSD correlation, and CCSD(T) correlation energies on basis set size was analyzed in detail near the well and near the asymptote. The extrapolated correlation energy for an infinite basis set was calculated for each geometry at the CCSD(T) level of theory. E˙ects due to correlation of core electrons were explored at the CCSD and CCSD(T) level of theory. Ground state potential energy surfaces with polarization functions added to the core orbitals of the calcium atom were also calculated at the CCSD and CCSD(T) level of theory. Additionally, a UHV compatible oven to vaporize neutral calcium and a PZT driver circuit were designed and constructed. This instrumentation will facilitate precision measurements on ions and molecular ions.
Bell, Edward, "Steps Toward Precision Measurements on Molecular Ions" (2015). All Theses. 2094.