𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Parallelization strategies for quantum reactive scattering codes

✍ Scribed by A. Laganà; L. Pacifici; D. Bellucci


Book ID
108137311
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
208 KB
Volume
20
Category
Article
ISSN
0167-739X

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Bond order uniform grids for quantum rea
✍ S. Rampino; A. Laganà 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 411 KB

## Abstract The adoption of evenly spaced grids in the so‐called bond order coordinates for the calculation of diatomic eigenfunctions in reactive scattering problems is investigated. These grids (used here for the first time in reactive dynamics) sample the accessible space better than traditional

A parallel Green's operator for multidim
✍ Åke Edlund; Uri Peskin 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 198 KB

A parallel algorithm for computing multidimensional scattering wave ## Ž . functions is introduced. The inhomogeneous scattering Lippmann᎐Schwinger equation is solved within the discrete variable representation with absorbing boundary conditions, Ž . using iterative Krylov methods. A parallel Gre

Probability densities for quantum-mechan
✍ Todd C. Thompson; Donald G. Truhlar 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 508 KB

We present contour maps of probability density I\*I\* for reactive compound-state resonances in two collinear reactions: H + FH -HF + H on a model low-barrier surface and H + Hz + Hz + H on the Porter-Karplus surface no. 2. The maps clearly show the Fermi-resonance schizoid character of the compound