Electronic Structure Methods

Electronic structure methods are computational techniques used to understand how electrons behave within atoms and molecules. They help scientists predict properties like reactivity, stability, and electronic behavior by solving complex quantum mechanical equations. These methods include approaches such as Hartree-Fock and density functional theory, which approximate electron interactions to provide insights into molecular structure and function. By doing so, they enable the design of new materials, drugs, and catalysts with precision, bridging fundamental physics with practical applications in chemistry, physics, and materials science.