𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Reactive scattering in hyperspherical coordinates

✍ Scribed by Jan Linderberg; Behnam Vessal


Book ID
104582062
Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
283 KB
Volume
31
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Hyperspherical coordinates in quantum me
✍ Aron Kuppermann; Jack A. Kaye; John P. Dwyer πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 562 KB

A new hypersphencal coordmate method for performing atom-diatom quantum mechanical collinear reaaive scattering calculattons is described The method ts appbcable at energies for whrch breakup channels are open. Comparison with previous results and new results at hrgh energies for H + Ha are grven. T

The semiclassical solution of reactive s
✍ Nikola MarkoviΔ‡; Gert D. Billing πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 787 KB

The propagation of the solution to the time-dependent Schrijdinger equation using grid methods has been investigated. The convergence of reaction probabilities with respect to the grid size as well as the efficiency of different propagation schemes (Chebyshev, Lanczos) and kinetic energy evaluation

On the use of grid methods for the solut
✍ Nikola Markovic; Gert D. Billing; James T. Muckerman πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 817 KB

We have applied the fast-Fourier-transform (FFT) method for propagating the solution of the timedepcndent Schriidinger equation for a reactive atom-diatom collision in hyperspkrical coordinates. Iithe present paper the dimensionaliv of the quantum subspace is reduced to two by introducing a semiclas

Quantum reactive scattering in three dim
✍ Gregory A. Parker; Russell T. Pack; Billy J. Archer; Robert B. Walker πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 800 KB

Accurate CC calculations of 3D quantum reactive scattering using hyperspherical (APH) coordinates are reported for both zero and non-zero total angular momentum J and for both symmetric (H + HZ) and unsymmetric (D + HZ) mass combinations. Accurate 3D reactive scattering calculations are now possible