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Multiconfigurational Hartree-Fock theory is presented and implemented in aninvestigation of the fragmentation of a Bose-Einstein condensate made ofidentical bosonic atoms in a double well potential at zero temperature. Theapproach builds in the effects of the condensate mean field and of atomiccorrelations by describing generalized many-body states that are composed ofmultiple configurations which incorporate atomic interactions. Nonlinear andlinear optimization is utilized in conjunction with the variational andHylleraas-Undheim theorems to find the optimal ground and excited states of theinteracting system. The resulting energy spectrum and associated eigenstatesare presented as a function of double well barrier height. Delocalized andlocalized single configurational states are found in the extreme limits of thesimple and fragmented condensate ground states, while multiconfigurationalstates and macroscopic quantum superposition states are revealed throughout thefull extent of barrier heights. Comparison is made to existing theories thateither neglect mean field or correlation effects and it is found thatcontributions from both interactions are essential in order to obtain a robustmicroscopic understanding of the condensate's atomic structure throughout thefragmentation process.Comment: 21 pages, 13 figure

Multiconfigurational Hartree-Fock theory for identical bosons in a double well