What Does OCCSD Stand For?

OCCSD stands for Open Shell Coupled Cluster With Single And Double Excitations

OCCSD, or Open Shell Coupled Cluster With Single And Double Excitations, is a sophisticated quantum chemistry method that extends the coupled cluster approach to systems with unpaired electrons. It accounts for electron correlation by incorporating both single and double excitations in its calculations, making it particularly effective for studying open-shell systems, such as radicals and transition metal complexes. OCCSD provides a balanced compromise between computational cost and accuracy, enabling the exploration of electronic structure in various molecular and materials science applications.