𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Generalized Møller−Plesset Partitioning in Multiconfiguration Perturbation Theory

✍ Scribed by Kobayashi, Masato; Szabados, Ágnes; Nakai, Hiromi; Surján, Péter R.


Book ID
118210196
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
402 KB
Volume
6
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Multi-partitioning Møller-Plesset pertur
✍ Andrei Zaitsevskii; Jean-Paul Malrieu 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 507 KB

A state-selective (intermediate Hamiltonian) formulation of the recently proposed multi-partitioning M~ller-Plesset perturbation theory is presented. The novel approach offers the possibility to combine the decontracted treatment of the reference space parts of wavefunctions with numerical stability

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