What Does DCFCI Stand For?

DCFCI stands for Density Constrained Full Configuration Interaction

DCFCI, or Density Constrained Full Configuration Interaction, is a computational method used in quantum chemistry and many-body physics. It combines the rigorous treatment of electronic correlations typical of full configuration interaction with density functional constraints. This approach enables accurate modeling of electronic systems while reducing computational costs, making it feasible to simulate larger molecular and material systems. By enforcing density constraints, DCFCI effectively maintains the accuracy of electron correlation effects while enhancing efficiency in calculations.