An approximate second-order Møller–Plesset perturbation approach for large molecular calculations

We propose an implementation of the large-scale MP2 approach obtained by combining the advantages of several approximate MP2 approaches. Our method is based on the local Laplace-transform MP2 method with the resolution of the identity approximation, which we denote the RILL-MP2 method. Applications of the RILL-MP2 method to linear glycine polypeptide and Se(CuPH3)2 molecules show that this approach is more efficient than the traditional or other approximate approaches without invoking loss of accuracy as the system size increases.