3 papers
quant-ph2025
Testing electron-photon exchange-correlation functional performance for many-electron systems under weak and strong light-matter coupling
Iman Ahmadabadi, I-Te Lu, Leonardo A. Cunha +3
We present results of a photon-free exchange-correlation functional within the local density approximation (pxcLDA) for quantum electrodynamics density functional theory (QEDFT) th…
physics.chem-ph2025
Neural network distillation of orbital dependent density functional theory
Matija MedvidoviÄ, Jaylyn C. Umana, Iman Ahmadabadi +3
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component…
physics.chem-ph2024
Cavity-Born Oppenheimer Approximation for Molecules and Materials via Electric Field Response
John Bonini, Iman Ahmadabadi, Johannes Flick
We present an ab initio method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical cavities. We demonstrate th…