title: Low-temperature D(+) + H2 reaction: a time-dependent coupled wave-packet study in hyperspherical coordinates.
abstract: A recently proposed coupled three-dimensional time-dependent wave-packet formalism in hyperspherical coordinates is shown to yield accurate results for the reactive non-charge transfer process in the title system at collision energies as low as 100 K, where the lowest sheet of the accurate double many body expansion form for the singlet H3 (+) is used. The results are compared with available experimental data as well as time-independent calculations, and the agreement shown to be generally good.
authors.affiliation: Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata 700032, West Bengal, India.
authors.forename: Tapas
authors.initials: T
authors.lastname: Sahoo
authors.affiliation: Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata 700032, West Bengal, India.
authors.forename: Sandip
authors.initials: S
authors.lastname: Ghosh
authors.affiliation: Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata 700032, West Bengal, India.
authors.forename: Satrajit
authors.initials: S
authors.lastname: Adhikari
authors.affiliation: Departamento de Química, and Centro de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal.
authors.forename: Rahul
authors.initials: R
authors.lastname: Sharma
authors.affiliation: Departamento de Química, and Centro de Química, Universidade de Coimbra, 3004-535 Coimbra, Portugal.
authors.forename: António J C
authors.initials: AJ
authors.lastname: Varandas