Barca, Giuseppe Maria Junior
The aim of this thesis is twofold.
Its first part, Part A, is concerned with the development and
assessment of a single-determinant theory for electronic excited
states. The theory is based on two simple algorithms for finding
excited-state solutions to self-consistent field (SCF) equations,
the Maximum Overlap Method (MOM) and the Initial Maximum Overlap
Method (IMOM). The extent to which these higher SCF solutions are
useful approximations to excited states...[Show more]
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