Comparison of basis set superposition er
β
G. J. HalΓ‘sz; Γ. VibΓ³k; I. Mayer
π
Article
π
1999
π
John Wiley and Sons
π
English
β 281 KB
π 2 views
Recently, two different but conceptually similar basis set Ε½ . superposition error BSSE free second-order perturbation theoretical schemes were developed by us that are being based on the chemical Hamiltonian Ε½ . approach CHA . Using these CHA-MP2 and CHA-PT2 methods, a comparison is made between th