Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies

Fast evaluation of scaled opposite spin

Fast evaluation of scaled opposite spin second-order Møller–Plesset correlation energies using auxiliary basis expansions and exploiting sparsity

✍ Yousung Jung; Yihan Shao; Martin Head-Gordon 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 248 KB

## Abstract The scaled opposite spin Møller–Plesset method (SOS‐MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, in a statistical sense, of higher quality than standard MP2 theory, by introducing one empirical parameter. But SOS‐MP2 still has a