Vibrational Excitation in Electron-CH4 Collisions: Exchange Interaction Effects.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54020207" target="_blank" >RIV/61388955:_____/01:54020207 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Vibrational Excitation in Electron-CH4 Collisions: Exchange Interaction Effects.

Popis výsledku v původním jazyce

The vibrational excitations of all four normal modes of the methane molecule in collisions with low-energy electrons (E-coll < 15 eV) are computed within the adiabatic approximation for the nuclear motion and solving the quantum dynamics for the scattered electron. The non-local exchange forces are treated by a separable expansion and by a semiclassical local model and their effects on the vibrationally inelastic cross sections are examined. By comparing the (<nu>(1) + nu (3)) and the (nu (2) + nu (4))sums of the four vibrationally inelastic modes as two sets of ''''stretching'''' and ''''bending'''' modes, with existing experiments on the latter, we are able to show that both approaches produce rather good accord with the available data, while presenting differences in them. The local model for treating exchange, which affords a substantial reduction of computational time, is shown to reasonably well describe vibrational inelasticity.

Název v anglickém jazyce

Vibrational Excitation in Electron-CH4 Collisions: Exchange Interaction Effects.

Popis výsledku anglicky

The vibrational excitations of all four normal modes of the methane molecule in collisions with low-energy electrons (E-coll < 15 eV) are computed within the adiabatic approximation for the nuclear motion and solving the quantum dynamics for the scattered electron. The non-local exchange forces are treated by a separable expansion and by a semiclassical local model and their effects on the vibrationally inelastic cross sections are examined. By comparing the (<nu>(1) + nu (3)) and the (nu (2) + nu (4))sums of the four vibrationally inelastic modes as two sets of ''''stretching'''' and ''''bending'''' modes, with existing experiments on the latter, we are able to show that both approaches produce rather good accord with the available data, while presenting differences in them. The local model for treating exchange, which affords a substantial reduction of computational time, is shown to reasonably well describe vibrational inelasticity.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

—

Projekt

—

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2001

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Physics. B

ISSN

0953-4075

e-ISSN

—

Svazek periodika

34

Číslo periodika v rámci svazku

N/A

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

19

Strana od-do

705-723

Kód UT WoS článku

—

EID výsledku v databázi Scopus

—