Retrospective

A look back at the ideas that got me here

Everything below owes a lot to Helgaker, Jørgensen, and Olsen — Molecular Electronic-Structure Theory.

Many-Body Perturbation Theory & Approximation Techniques

Studied during my undergraduate thesis to understand quantum mechanical solutions and the need for real-space methods over reciprocal-space for molecular systems.
Molecular Orbital Theory & Density Functional Theory

Learned fundamentals (including ligand-field theory) to analyze low-dimensional molecular systems and defend my thesis work.
Molecular Electronic Properties & Transitions

Applied in my first publication to interpret NMR chemical shifts, Landé g-factor variations, and related data.
Charge Analysis Methods

Mulliken, Löwdin, and ELF approaches used to investigate carrier localization, its limitations, and exchange/superexchange dynamics in doped systems.
Group Theory

Field splitting, Kramers degeneracy, and orbital quenching in 3D crystals and 2D materials. Explored how reduced dimensionality can overcome crystal field limitations.
Noncentrosymmetric Molecular Behavior

Studied using finite-field density functional theory, with density-matrix–based analysis to interpret nonlinear optoelectronic responses in reduced-symmetry systems.