What Does CISDTQ Stand For?

CISDTQ stands for Configuration Interaction With Single Double Triple And Quadruple Excitations

CISDTQ, or Configuration Interaction With Single Double Triple And Quadruple Excitations, is an advanced quantum chemistry method used to accurately describe electronic correlation in many-body systems. This approach incorporates excitations of electrons from occupied to virtual orbitals, accounting for single, double, triple, and quadruple excitations. By providing a more comprehensive wavefunction representation, CISDTQ enhances the accuracy of energy and property predictions for molecular systems, making it a valuable tool in computational chemistry and materials science.