ABC: a quantum reactive scattering program
This article describes a quantum mechanical reactive scattering program for atom-diatom chemical reactions that we have written during the past several years. The program uses a coupled-channel hyperspherical coordinate method to solve the Schrodinger equation for the motion of the three nuclei on a...
Autori principali: | Skouteris, D, Castillo, J, Manolopoulos, D |
---|---|
Natura: | Journal article |
Lingua: | English |
Pubblicazione: |
Elsevier
2000
|
Documenti analoghi
-
Quantum reactive scattering with a transmission-free absorbing potential.
di: Gonzalez-Lezana, T, et al.
Pubblicazione: (2004) -
Quantum calculations on reactive collisions
di: Manolopoulos, D, et al.
Pubblicazione: (1989) -
QUANTUM REACTIVE SCATTERING VIA THE LOG DERIVATIVE VERSION OF THE KOHN VARIATIONAL PRINCIPLE - GENERAL-THEORY FOR BIMOLECULAR CHEMICAL-REACTIONS
di: Manolopoulos, D, et al.
Pubblicazione: (1989) -
TRANSLATIONAL BASIS SET CONTRACTION IN VARIATIONAL REACTIVE SCATTERING
di: Manolopoulos, D, et al.
Pubblicazione: (1990) -
Quantum reactive scattering of H + hydrocarbon reactions.
di: Kerkeni, B, et al.
Pubblicazione: (2006)