Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs)

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F12%3A10128549" target="_blank" >RIV/00216208:11320/12:10128549 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1063/1.3690459" target="_blank" >http://dx.doi.org/10.1063/1.3690459</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.3690459" target="_blank" >10.1063/1.3690459</a>

Result language

angličtina

Original language name

Ab initio properties of MgAlk (Alk = Li, Na, K, Rb, Cs)

Original language description

High level ab initio calculations are performed on the ground electronic state of diatomic molecules MgAlk (Alk = Li, Na, K, Rb, Cs). Potential energy curves and dipole moment functions are determined making use of the single-reference unrestricted and restricted coupled-cluster methods with large basis sets. Basic spectroscopic properties of the ground electronic states are derived from ro-vibrational bound state calculations. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3690459]

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

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Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2012

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

136

Issue of the periodical within the volume

8

Country of publishing house

US - UNITED STATES

Number of pages

4

Pages from-to

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UT code for WoS article

000300944000023

EID of the result in the Scopus database

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