𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density of States Guided Møller–Plesset Perturbation Theory

✍ Scribed by Lestrange, Patrick J.; Peng, Bo; Ding, Feizhi; Trucks, Gary W.; Frisch, Michael J.; Li, Xiaosong

Book ID
127196636
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
854 KB
Volume
10
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Intruder state avoidance multireference
Intruder state avoidance multireference Møller–Plesset perturbation theory
✍ 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

Dynamic hyperpolarizabilities in Møller–
Dynamic hyperpolarizabilities in Møller–Plesset perturbation theory
✍ 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
Improved third-order Møller–Plesset perturbation theory
✍ 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

Multi-partitioning Møller-Plesset pertur
Multi-partitioning Møller-Plesset perturbation theory. A state-selective formulation
✍ 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