𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Local Møller−Plesset Perturbation Theory: A Massively Parallel Algorithm

✍ Scribed by Nielsen, Ida M. B.; Janssen, Curtis L.


Book ID
127380673
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
163 KB
Volume
3
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Dynamic hyperpolarizabilities in Møller–
✍ Motoyuki Shiga; Fumihiko Aiga; Kotoku Sasagane 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 279 KB 👁 1 views

As a formulation for calculating the dynamic polarizabilities and hyperpolarizabilities, two different types of the time-dependent Møller᎐Plesset Ž . perturbation theory MPPT are presented: the MPPT in the quasienergy derivative Ž . Ž . method QED᎐MPPT and the MPPT in the energylike derivative metho

Improved third-order Møller–Plesset pert
✍ Stefan Grimme 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB

## Abstract Based on a partitioning of the total correlation energy into contributions from parallel‐ and antiparallel‐spin pairs of electrons, a modified third‐order Møller–Plesset (MP) perturbation theory is developed. The method, termed SCS–MP3 (SCS for spin‐component‐scaled) continues previous

Intruder state avoidance multireference
✍ Henryk A. Witek; Yoong-Kee Choe; James P. Finley; Kimihiko Hirao 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 134 KB

## Abstract A new perturbation approach is proposed that enhances the low‐order, perturbative convergence by modifying the zeroth‐order Hamiltonian in a manner that enlarges any small‐energy denominators that may otherwise appear in the perturbative expansion. This intruder state avoidance (ISA) me