What Does BSSE Stand For?

BSSE stands for Basis Set Superposition Error

BSSE, or Basis Set Superposition Error, refers to an error in computational chemistry that occurs when the interaction energy between two or more molecular systems is calculated using incomplete basis sets. This error arises because the basis set used to represent each molecule can lead to erroneous results when the basis sets for interacting systems overlap. BSSE is a critical consideration in quantum chemistry and molecular modeling, as correcting for this error is essential for obtaining accurate interaction energies and understanding molecular interactions.