About: Modeling of HeN+ clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He3+

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About: Modeling of HeN+ clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He3+ Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Byly provedeny výpočty energií He3+ pro základní a první dva excitované stavy a pro rozsáhlou třídu konfigurací. Získané energie byly reprezentovány analyticky. (cs) Accurate energy {\it ab initio} calculations have been performed for three lowest electronic states of He$_3^+$ using the internally contracted multireference configuration interaction (icMRCI) method and an augmented correlation-consistent basis set of atomic orbitals. A broad range of He$_3^+$ geometries has been considered and the calculated energies have been represented analytically. The present results are thoroughly checked in comparison with data available the literature. Accurate energy {\it ab initio} calculations have been performed for three lowest electronic states of He$_3^+$ using the internally contracted multireference configuration interaction (icMRCI) method and an augmented correlation-consistent basis set of atomic orbitals. A broad range of He$_3^+$ geometries has been considered and the calculated energies have been represented analytically. The present results are thoroughly checked in comparison with data available the literature. (en)
Title	Modeling of HeN+ clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He3+ Modeling of HeN+ clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He3+ (en) Modelování klastrů HeN+ I. Ab initio a analatyické potenciály pro základní a dva nejnižší excitované stavy He3+. (cs)
skos:prefLabel	Modeling of HeN+ clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He3+ Modeling of HeN+ clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of He3+ (en) Modelování klastrů HeN+ I. Ab initio a analatyické potenciály pro základní a dva nejnižší excitované stavy He3+. (cs)
skos:notation	RIV/61988987:17310/07:A0800LW0!RIV08-GA0-17310___
http://linked.open.../vavai/riv/strany	64;70
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GA203/04/2146)
http://linked.open...iv/cisloPeriodika	1-3
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Hrivňák, Daniel Karlický, František Kalus, René
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	Ostravská univerzita v Ostravě / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	434313
http://linked.open...ai/riv/idVysledku	RIV/61988987:17310/07:A0800LW0
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	helium; trimer cation; {\it ab initio} potential energy surfaces (en)
http://linked.open.../riv/klicoveSlovo	helium {\it ab initio} potential energy surfaces trimer cation
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[9FB06943460E]
http://linked.open...i/riv/nazevZdroje	Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Modelling of helium ionic clusters: structure, spectra, thermodynamics, and dynamics
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	342
http://linked.open...iv/tvurceVysledku	Karlický, František Kalus, René Polák, Rudolf Paidarová, I. Hrivňák, Daniel Oleksy, Karel Gadéa, F. X. Paulíková, Barbora
issn	0301-0104
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	17310

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