Incorporating the Geometric Phase Effect in Triatomic and Tetraatomic Hyperspherical Harmonics

Autor:	Aron Kuppermann
Rok vydání:	2006
Předmět:	Analytical expressions Basis (linear algebra) Scattering Chemistry Triatomic molecule symbols.namesake Classical mechanics Geometric phase Harmonics Physics::Atomic and Molecular Clusters symbols Jacobi polynomials Physics::Chemical Physics Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry A. 110:809-816
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp054597m
Popis:	Hyperspherical harmonics in the democratic row-orthonormal hyperspherical coordinates are very appropriate basis sets for performing reactive scattering calculations for triatomic and tetraatomic systems. The mathematical conditions for incorporating the geometric phase effect in these harmonics are given. These conditions are implemented for triatomic systems, and their explicit analytical expressions in terms of Jacobi polynomials, in both the absence and presence of the geometric phase effect, are given.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3af2e1d6e1b4a36e6f611e5f7d9bc64d https://doi.org/10.1021/jp054597m Zobrazit plný text záznamu