About: Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states.

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About: Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states. Goto Sponge Distinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Kohn-Sham (KS) orbitals in CH 2 , formaldehyde and acetone molecules were used as reference states for configuration interaction (CI) instead of the usual Hartree-Fock (HF) orbitals. Kohn-Sham (KS) orbitals in CH 2 , formaldehyde and acetone molecules were used as reference states for configuration interaction (CI) instead of the usual Hartree-Fock (HF) orbitals. (en)
Title	Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states. Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states. (en)
skos:prefLabel	Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states. Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states. (en)
skos:notation	RIV/61388963:_____/01:57010158!RIV/2003/AV0/A57003/N
http://linked.open.../vavai/riv/strany	331;337
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/01/0031), P(IAA4055104), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Bouř, Petr
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	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	676251
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/01:57010158
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Kohn-Sham orbitals (en)
http://linked.open.../riv/klicoveSlovo	Kohn-Sham orbitals
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[BF9599E1EC32]
http://linked.open...i/riv/nazevZdroje	Chemical Physics Letters
http://linked.open...in/vavai/riv/obor	CE
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	1 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Experimental and theoretical development of the Raman optical activity as a stereochemical probe for aqueous environment Molecular Structural Studies with Circular-Dichroic and NMR Spectra
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	345
http://linked.open...iv/tvurceVysledku	Bouř, Petr
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	0009-2614
number of pages	7 (xsd:int)

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