Bsse
BSSE, commonly written as BSSE, stands for Basis Set Superposition Error, a methodological issue in quantum chemistry. It occurs when the finite basis set used to describe a molecular system allows the basis functions of one fragment to artificially stabilize another fragment, leading to an overestimation of binding or interaction energies. This artifact is especially pronounced in calculations of weakly bound systems, such as van der Waals complexes or adsorption energies, and can distort reported energy differences.
To mitigate BSSE, several approaches are used. The counterpoise correction, introduced by Boys and Bernardi in
In other contexts, BSSE may be an acronym for organizations, programs, or societies unrelated to chemistry.