atompert
AtomPert is a theoretical framework and software methodology for analyzing perturbations in atomic systems. It provides a structured approach to compute how external influences alter energy levels, wavefunctions, and observable properties of atoms and small molecules.
The framework treats the total Hamiltonian as H = H0 + V, where H0 is the unperturbed Hamiltonian
Key features include modular operator algebra for V, support for static and dynamic perturbations, and interfaces
Applications span atomic spectroscopy, precision metrology, sensor design, and the analysis of perturbative effects in quantum
Limitations include the breakdown of perturbation theory for strong perturbations or near-degeneracies, dependence on the choice