✦ LIBER ✦

Alternative linear-scaling methodology for the second-order Mo̸ller-Plesset perturbation calculation based on the divide-and-conquer method

✍ Scribed by Kobayashi, Masato; Imamura, Yutaka; Nakai, Hiromi

Book ID: 121202582
Publisher: American Institute of Physics
Year: 2007
Tongue: English
Weight: 498 KB
Volume: 127
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.2761878

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Linear-scaling divide-and-conquer second

Linear-scaling divide-and-conquer second-order Møller–Plesset perturbation calculation for open-shell systems: implementation and application

✍ Takeshi Yoshikawa; Masato Kobayashi; Hiromi Nakai 📂 Article 📅 2011 🏛 Springer 🌐 English ⚖ 318 KB

A linear- and sublinear-scaling method f

A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Mo̸ller-Plesset perturbation theory

✍ Maurer, Marina; Ochsenfeld, Christian 📂 Article 📅 2013 🏛 American Institute of Physics 🌐 English ⚖ 797 KB

Analytic energy gradient for second-orde

Analytic energy gradient for second-order Mo̸ller-Plesset perturbation theory based on the fragment molecular orbital method

✍ Nagata, Takeshi; Fedorov, Dmitri G.; Ishimura, Kazuya; Kitaura, Kazuo 📂 Article 📅 2011 🏛 American Institute of Physics 🌐 English ⚖ 1011 KB

Calculation of frequency-dependent polar

Calculation of frequency-dependent polarizabilities for open-shell systems at the second-order Møller–Plesset perturbation theory level based on the quasi-energy derivative method

✍ Takao Kobayashi; Kotoku Sasagane; Kizashi Yamaguchi 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 184 KB 👁 2 views

We extended the dynamic response theory in the Møller᎐Plesset Ž . Ž . perturbation theory MPPT based on the quasi-energy derivative QED method for closed-shell systems to that for open-shell systems. In this study we perform the Ž . calculations of frequency-dependent polarizabilities ␣ y; for nonde