Quantum defect theory for Coulomb and other potentials in the framework of configuration interaction and implementation to the calculation of D-2 and F-2(o) perturbed spectra of Al

Komninos, Y; Nicolaides, CA

dc.contributor.author	Komninos, Y	en
dc.contributor.author	Nicolaides, CA	en
dc.date.accessioned	2014-03-01T01:54:02Z
dc.date.available	2014-03-01T01:54:02Z
dc.date.issued	2004	en
dc.identifier.issn	0953-4075	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/27169
dc.subject.classification	Optics	en
dc.subject.classification	Physics, Atomic, Molecular & Chemical	en
dc.subject.other	RYDBERG SERIES	en
dc.subject.other	CROSS-SECTIONS	en
dc.subject.other	MICROWAVE SPECTROSCOPY	en
dc.subject.other	ATOMIC ALUMINIUM	en
dc.subject.other	GENERAL-FORM	en
dc.subject.other	STATES	en
dc.subject.other	PHOTOIONIZATION	en
dc.subject.other	COMPUTATION	en
dc.subject.other	RESONANCES	en
dc.subject.other	HELIUM	en
dc.title	Quantum defect theory for Coulomb and other potentials in the framework of configuration interaction and implementation to the calculation of D-2 and F-2(o) perturbed spectra of Al	en
heal.type	journalArticle	en
heal.language	English	en
heal.publicationDate	2004	en
heal.abstract	In continuation of our earlier work on the ab initio calculation of perturbed spectra and on a corresponding quantum defect theory (QDT), we discuss certain essential characteristics having to do with the unification of the continuous and the discrete spectra: via the formal and practical construction of smooth quantities without invoking the pair of analytic forms of regular and irregular functions. The theory and its computational methodology are in the framework of configuration interaction (CI), and its structure shows how wavefunctions and properties of excited states of atoms and molecules can be computed provided one uses reliable zero order basis functions, regardless of whether the relevant potential is, asymptotically, Coulombic or some other type. The mathematical connection with smooth reaction matrices in the discrete spectrum is demonstrated via the Mittag-Leffler theorem for the construction of analytic functions. We compare results for the quantum defects and fine structure from the present theory, as implemented by Komninos et al (1995 J. Phys. B: At. Mol. Opt. Phys. 28 2049, 1996 J. Phys. B: At. Mol. Opt. Phys. 29 L193), of the A1 spectra of D-2 symmetry (strongly perturbed) and of (2)Fdegrees symmetry (weakly perturbed), with the recently reported measurements on high-lying states (Dyubko et al 2003 J. Phys. B: At. Mol. Opt. Phys. 36 3797 and 4827), as well as with those of Eriksson and Isberg (1963 Ark. Fys. 23 527) for the low-lying states. The comparison reveals for the first time very good agreement between theory and experiment for both series. In addition, predictions for the other states of the series are made. Previous computations of the quantum defects of the 2 D spectrum, in general, do not agree among themselves while they deviate from the experimental values.	en
heal.publisher	IOP PUBLISHING LTD	en
heal.journalName	JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS	en
dc.identifier.isi	ISI:000221833700006	en
dc.identifier.volume	37	en
dc.identifier.issue	9	en
dc.identifier.spage	1817	en
dc.identifier.epage	1832	en