What Does CISD Stand For?

CISD stands for Configuration Interaction With Single And Double Excitation

CISD, or Configuration Interaction with Single and Double Excitation, is a post-Hartree-Fock quantum chemistry method used to improve the accuracy of electronic structure calculations. It accounts for electron correlation by considering all possible configurations generated by single and double excitations from a reference wave function. This approach enhances the predictive power of computational models for molecular properties and reaction dynamics, making it a valuable tool in theoretical and computational chemistry.