𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Reactive scattering using the multiconfiguration time-dependent Hartree approximation: General aspects and application to the collinear H+H2→H2+H reaction

✍ Scribed by Jäckle, A.; Meyer, H.-D.


Book ID
120163760
Publisher
American Institute of Physics
Year
1995
Tongue
English
Weight
603 KB
Volume
102
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


A time-dependent formulation of the scat
✍ David E. Weeks; David J. Tannor 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 680 KB

scattering matrix elements for the collinear reaction H + H2 ( u) -'Ha ( v') + H are computed using a new time-dependent method based on the Msller operator formulation of scattering theory. Reaction dynamics are determined by the LSTH potential energy surface where attention is focused on two asymp

A new numerical method for collinear qua
✍ D.K. Bondi; J.N.L. Connor 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 267 KB

A new numerical method for quantum collinear chemical reactions using Delves' coordinates is described. The method used R-matrix propagation along the radial coordinate and a Delves'-cartesian coordinate transformation for the R matrix in the asymptotic region. Application is made to the H + H2(n <

Recursive generation of individual S-mat
✍ Michael D'Mello; Csilla Duneczky; Robert E. Wyatt 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 634 KB

It is shown that individual (state-to-state) S-matrix elements can be generated from the 1,l element of the inverse of a small tridiagonal matrix. The tridiagonal matrix is produced via the Lanczos algorithm from discretized integral equations for the amplitude density. The convergence of 1 S,., I\*