Vibrational excitation of cyclopropane by electron impact: An experimental test of the discrete-momentum-representation theory with density-functional-theory approximation of polarization and correlation

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F12%3A00437219" target="_blank" >RIV/61388955:_____/12:00437219 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1103/PhysRevA.86.062709" target="_blank" >http://dx.doi.org/10.1103/PhysRevA.86.062709</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevA.86.062709" target="_blank" >10.1103/PhysRevA.86.062709</a>

Result language

angličtina

Original language name

Vibrational excitation of cyclopropane by electron impact: An experimental test of the discrete-momentum-representation theory with density-functional-theory approximation of polarization and correlation

Original language description

The discrete-momentum-representation theory with short-range correlation and polarization approximated by local-density-functional theory has been augmented by connecting the short-range potential to an asymptotic polarization tensor. The capacity of this theory to correctly describe the coupling of a free electron with nuclear motion is tested by a detailed comparison of calculated and measured cross sections for vibrational excitation in cyclopropane. Absolute magnitudes of the cross sections, selectivity with respect to the vibrational modes excited, angular distributions in the entire angular range 0 degrees-180 degrees, and resonant structures dependent on the incident electron energy in the range from threshold to 16 eV are compared. The resultsare encouraging; the theory reproduces all these aspects quantitatively, even at low energies, down to about 1 eV. An important asset of this theory is that it is applicable to large molecules.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2012

Confidentiality

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

Name of the periodical

Physical Review. A

ISSN

1050-2947

e-ISSN

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Volume of the periodical

86

Issue of the periodical within the volume

6

Country of publishing house

US - UNITED STATES

Number of pages

5

Pages from-to

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UT code for WoS article

000312673600006

EID of the result in the Scopus database

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