Mapping Coriolis-coupled quantum dynamics onto parallel computer architectures

Quantum chemistry on parallel computer a

Quantum chemistry on parallel computer architectures: coupled-cluster theory applied to the bending potential of fulminic acid

✍ Alistair P. Rendell; Timothy J. Lee; Roland Lindh 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 924 KB

We present a formulation of the singles and doubles coupled-cluster (CCSD) method suitable for distributed memory parallel computer architectures. Results from test calculations using up to 128 nodes of the Intel i860 hypercube are presented. Although the new algorithm is highly parallel, the asympt