About: Determination of the Resonance Energy and Width of the 2B2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant

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About: Determination of the Resonance Energy and Width of the 2B2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant Goto Sponge Distinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1021/jp503075a
Description	The method of analytical continuation in the coupling constant, which allows us to determine the energy and width of a shape resonance, has been applied to the study of the B-2(2g) shape resonance of ethylene. The procedure was done in two steps. In the first step, we used commercially available quantum-chemistry programs to calculate the electronic energy of a neutral molecule and of a negative ion. In both calculations, the Hamiltonian was altered by the inclusion of an additional attractive potential that helps to keep the negative ion bound. In the second step, the energy difference between the neutral molecule and its negative ion was analytically continued by the use of the statistical Pade approximation. The method of analytical continuation in the coupling constant, which allows us to determine the energy and width of a shape resonance, has been applied to the study of the B-2(2g) shape resonance of ethylene. The procedure was done in two steps. In the first step, we used commercially available quantum-chemistry programs to calculate the electronic energy of a neutral molecule and of a negative ion. In both calculations, the Hamiltonian was altered by the inclusion of an additional attractive potential that helps to keep the negative ion bound. In the second step, the energy difference between the neutral molecule and its negative ion was analytically continued by the use of the statistical Pade approximation. (en)
Title	Determination of the Resonance Energy and Width of the 2B2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant Determination of the Resonance Energy and Width of the 2B2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant (en)
skos:prefLabel	Determination of the Resonance Energy and Width of the 2B2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant Determination of the Resonance Energy and Width of the 2B2g Shape Resonance of Ethylene with the Method of Analytical Continuation in the Coupling Constant (en)
skos:notation	RIV/00216208:11320/14:10289849!RIV15-MSM-11320___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP203/12/0665)
http://linked.open...iv/cisloPeriodika	33
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Horáček, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	10847
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/14:10289849
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	resonances; analytical contunuation; c2h4; electron-scattering (en)
http://linked.open.../riv/klicoveSlovo	resonances electron-scattering analytical contunuation c2h4
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[9A48AA06C337]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular resonances and their dynamics
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	118
http://linked.open...iv/tvurceVysledku	Horáček, Jiří Paidarová, Ivana Čurík, Roman
http://linked.open...ain/vavai/riv/wos	000340808300027
issn	1089-5639
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp503075a
http://localhost/t...ganizacniJednotka	11320

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