What Does UCCSD Stand For?

UCCSD stands for Spin Unrestricted CCSD

UCCSD, or Spin Unrestricted Coupled Cluster with Single and Double excitations, is a quantum chemistry method used to model electronic structures of molecular systems. It extends traditional coupled cluster approaches by allowing for unrestricted spin configurations, thereby accommodating systems with open-shell electron configurations. UCCSD provides a balance of accuracy and computational efficiency, making it suitable for studying electronic correlations in various chemical environments.