Reactive scattering in hyperspherical coordinates
β 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
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π SIMILAR VOLUMES
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 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
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
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