Calculation of n = 3 intrashell resonance states of HE- and of isoelectronic atoms

Piangos, NA; Nicolaides, CA

dc.contributor.author	Piangos, NA	en
dc.contributor.author	Nicolaides, CA	en
dc.date.accessioned	2014-03-01T11:44:33Z
dc.date.available	2014-03-01T11:44:33Z
dc.date.issued	2003	en
dc.identifier.issn	1050-2947	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/37005
dc.relation.uri	http://www.scopus.com/inward/record.url?eid=2-s2.0-0037768886&partnerID=40&md5=0e7055ae23af49e79d77fe1508d6b324	en
dc.subject.classification	Optics	en
dc.subject.classification	Physics, Atomic, Molecular & Chemical	en
dc.subject.other	Eigenvalues and eigenfunctions	en
dc.subject.other	Electronic structure	en
dc.subject.other	Positive ions	en
dc.subject.other	Quantum theory	en
dc.subject.other	Isoelectronic atoms	en
dc.subject.other	Resonance	en
dc.title	Calculation of n = 3 intrashell resonance states of HE- and of isoelectronic atoms	en
heal.type	other	en
heal.identifier.secondary	052501	en
heal.language	English	en
heal.publicationDate	2003	en
heal.abstract	We discuss the theory and computation of the lowest three, n=3 intrashell triply excited resonance states of He- of Li, and of positive ions of the sequence, up to N4+. These are the 3s(2)3p P-2(o), 3s3p(2) P-4, and 3s3p(2) D-2 states, for which wave function characteristics, energies, and widths are reported. Contrary to recently published results for He- and to earlier ones for N4+, we found that electron correlation and orthogonality to lower states are such that they make the P-2(o) state the lowest n=3 triply excited state (TES), as is the case with the n=2 shell. Our predictions for these states of He- are in harmony with the measurements of Roy [Phys. Rev. Lett. 38, 1062 (1977)], which were interpreted only recently [C. A. Nicolaides and N. A. Piangos, J. Phys. B 34, 99 (2001)]. In addition, our value for the position of the Li 3s(2)3p P-2(o) TES, 175.15 eV, agrees with the measurement (175.165+/-0.050 eV) of Diehl [Phys. Rev. A 56, R1071 (1997)]. Apart from specifics, the paper discusses or points to certain basic aspects of computational quantum mechanics of such multiply excited states. For example, it refers to the utility of open-channel-like configurations toward proper convergence to a local energy minimum in the continuous spectrum, where quasibound and unbound states of the same symmetry lie below, and for which the normal eigenvalue properties of the discrete spectrum do not apply. Also, we discuss the possibility that is given by the state-specific theory for carrying out economic and physically transparent calculations and for deducing semiquantitative conclusions about the interplay between electronic structure, interference, and autoionization widths.	en
heal.publisher	AMERICAN PHYSICAL SOC	en
heal.journalName	Physical Review A - Atomic, Molecular, and Optical Physics	en
dc.identifier.isi	ISI:000183298800044	en
dc.identifier.volume	67	en
dc.identifier.issue	5	en
dc.identifier.spage	525011	en
dc.identifier.epage	5250112	en