𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio construction of Yang's divide-and-conquer method

✍ Scribed by Zhongxiang Zhou


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
260 KB
Volume
203
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Implementation of divide-and-conquer met
✍ Tomoko Akama; Masato Kobayashi; Hiromi Nakai 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 480 KB

## Abstract The divide‐and‐conquer (DC) method, which is one of the linear‐scaling methods avoiding explicit diagonalization of the Fock matrix, has been applied mainly to pure density functional theory (DFT) or semiempirical molecular orbital calculations so far. The present study applies the DC m

Two-level hierarchical parallelization o
✍ Michio Katouda; Masato Kobayashi; Hiromi Nakai; Shigeru Nagase 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 184 KB

## Abstract A two‐level hierarchical parallelization scheme including the second‐order Møller–Plesset perturbation (MP2) theory in the divide‐and‐conquer method is presented. The scheme is a combination of coarse‐grain parallelization assigning each subsystem to a group of processors, with fine‐gra

A Divide-and-Conquer Implementation of t
✍ Oliver Warschkow; John M. Dyke; Donald E. Ellis 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 318 KB

In this paper a novel density functional theory code is described that implements Yang's divide-and-conquer approach in the framework of the discrete variational method. The primary aim of the software is the rapid computation of approximate electron densities and density of states for a given arran