Electrons Weakly Bound to Hydrogen Bonded Clusters: A Pseudopotential Model Including Dispersion Interactions.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F02%3A54020040" target="_blank" >RIV/61388955:_____/02:54020040 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Electrons Weakly Bound to Hydrogen Bonded Clusters: A Pseudopotential Model Including Dispersion Interactions.

Original language description

A pseudopotential model for the description of binding of an excess electron to polar clusters or molecules is presented. In addition to Coulomb, short range repulsion, and polarization interactions between the excess electron and the neutral core, the model also accounts for dispersion within a second order perturbation treatment. The pseudopotential, which should enable future dynamical calculations coupling the excess electron with nuclear motions, is successfully tested against ab initio results.

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

<a href="/en/project/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2002

Confidentiality

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

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

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Volume of the periodical

117

Issue of the periodical within the volume

11

Country of publishing house

US - UNITED STATES

Number of pages

11

Pages from-to

5113-5123

UT code for WoS article

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EID of the result in the Scopus database

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