Zobrazeno 1 - 10
of 209
pro vyhledávání: '"Aron Kuppermann"'
Autor:
Aron Kuppermann
Publikováno v:
Estudos Avançados, Vol 8, Iss 20, Pp 18-22 (1994)
Externí odkaz:
https://doaj.org/article/f68fd3a4e8f04e62a71a18293cde8281
Autor:
Desheng Wang, Aron Kuppermann
Publikováno v:
The Journal of Physical Chemistry A. 113:15384-15410
Hyperspherical harmonics for triatomic systems as functions of row-orthonormal hyperspherical coordinates, (also called democratic hyperspherical harmonics) are obtained explicitly in terms of Jacobi polynomials and trigonometeric functions. These ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b90476e572b955b0dbb713d4849caf63
https://doi.org/10.1021/jp906473n
https://doi.org/10.1021/jp906473n
Autor:
Aron Kuppermann
Publikováno v:
The Journal of Physical Chemistry A. 110:809-816
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3af2e1d6e1b4a36e6f611e5f7d9bc64d
https://doi.org/10.1021/jp054597m
https://doi.org/10.1021/jp054597m
Autor:
Aron Kuppermann, Desheng Wang
Publikováno v:
International Journal of Quantum Chemistry. 106:152-166
A symbolic algebra method for determining democratic hyperspherical harmonics (HH) for three-particle and four-particle systems is given. It is based on a recursion relation that, starting from a complete set of such harmonics for a given value n of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9827754b0bf8ef02e4c1a3fd65dc7e6c
https://doi.org/10.1002/qua.20774
https://doi.org/10.1002/qua.20774
Autor:
Aron Kuppermann
Publikováno v:
The Journal of Physical Chemistry A. 108:8894-8904
Hyperspherical harmonics as functions of hyperspherical coordinates appropriate for describing the weak interaction region of nuclear configuration space of tetraatomic systems are derived. They constitute an efficient basis set for calculating the c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21ffb8fcfb3b653f065809e0d19306ba
https://doi.org/10.1021/jp048874l
https://doi.org/10.1021/jp048874l
Autor:
Aron Kuppermann
Publikováno v:
Israel Journal of Chemistry. 43:229-241
This paper describes how large numbers of hyperspherical harmonics for triatomic and tetratomic systems, generated analytically by a computer algebra program, can be efficiently used to solve the time-independent reactive scattering Schrodinger equat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e1b1509f848bc777bc5fc9edb7d8959
https://doi.org/10.1560/8kqb-4mmc-e990-rmdj
https://doi.org/10.1560/8kqb-4mmc-e990-rmdj
Autor:
Desheng Wang, Aron Kuppermann
Publikováno v:
The Journal of Physical Chemistry A. 107:7290-7310
A recursion procedure for the analytical generation of hyperspherical harmonics for triatomic systems, in terms of row-orthonormal hyperspherical coordinates, is presented. Using this approach and an algebraic Mathematicaprogram, these harmonics were
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0fe97b78df5d41a39d4bd7eeb280de47
https://doi.org/10.1021/jp030435j
https://doi.org/10.1021/jp030435j
Autor:
Ravinder Abrol, Aron Kuppermann
Publikováno v:
The Journal of Chemical Physics. 116:1035-1062
Molecular reaction dynamics in the adiabatic representation is complicated by the existence of conical intersections and the associated geometric phase effect. The first-derivative coupling vector between the corresponding electronically adiabatic st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eee12d3eb438f47b37f69dd626f03f6b
https://doi.org/10.1063/1.1419257
https://doi.org/10.1063/1.1419257
Autor:
Aron Kuppermann, Y.-S Mark Wu
Publikováno v:
Chemical Physics Letters. 349:537-546
It has recently been argued that the geometric phase (GP) effect is not important for the differential cross-sections (DCSs) of the H+D 2 reaction at E tot =1.481 eV , in sharp contrast with previous calculations. It is shown here that this argument
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efa7223564209fb5ef89fbd43ca8f432
https://doi.org/10.1016/s0009-2614(01)01210-6
https://doi.org/10.1016/s0009-2614(01)01210-6
Autor:
Desheng Wang, Aron Kuppermann
Publikováno v:
The Journal of Chemical Physics. 115:9184-9208
A recursion procedure for the analytical generation of hyperspherical harmonics for tetraatomic systems, in terms of row-orthonormal hyperspherical coordinates, is presented. Using this approach and an algebraic Mathematica program, these harmonics w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0ad5b04134721db9ea1db1788fce748
https://doi.org/10.1063/1.1412603
https://doi.org/10.1063/1.1412603