Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F13%3A10188957" target="_blank" >RIV/00216208:11320/13:10188957 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/13:00392183
Result on the web
<a href="http://dx.doi.org/10.1016/j.chemphys.2013.03.023" target="_blank" >http://dx.doi.org/10.1016/j.chemphys.2013.03.023</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.chemphys.2013.03.023" target="_blank" >10.1016/j.chemphys.2013.03.023</a>
Alternative languages
Result language
angličtina
Original language name
Analytical continuation in coupling constant method; application to the calculation of resonance energies and widths for organic molecules: Glycine, alanine and valine and dimer of formic acid
Original language description
The method of analytic continuation in the coupling constant (ACCC) in combination with use of the statistical Pade approximation is applied to the determination of resonance energy and width of some amino acids and formic acid dimer. Standard quantum chemistry codes provide accurate data which can be used for analytic continuation in the coupling constant to obtain the resonance energy and width of organic molecules with a good accuracy. The obtained results are compared with the existing experimentalones.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BE - Theoretical physics
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GAP203%2F12%2F0665" target="_blank" >GAP203/12/0665: Molecular resonances and their dynamics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Physics
ISSN
0301-0104
e-ISSN
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Volume of the periodical
418
Issue of the periodical within the volume
3 June 2013
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
6
Pages from-to
8-13
UT code for WoS article
000319384500002
EID of the result in the Scopus database
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