What Does AEFCA Stand For?

AEFCA stands for All Electron Frozen Core Approximation

AEFCA, or All Electron Frozen Core Approximation, is a computational method used in quantum chemistry and materials science to simplify the electronic structure calculations of atoms and molecules. In this approach, core electrons are considered fixed in their position and do not participate in the electronic correlation processes, allowing for more efficient calculations while maintaining accuracy for valence electrons. AEFCA is particularly valuable in scenarios where a detailed understanding of valence interactions is essential, as it balances computational feasibility with the precision needed for predictive modeling.