Hylleraas- and Kinoshita-type wave functions with correct cusp conditions

I. Hornyak, A. Kruppa

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The finite terms Hylleraas- and Kinoshita-type variational wave functions are considered for three-body systems. In the Coulombic case local properties of wave functions are restricted by the Kato's cusp conditions. It is showed that Kato's cusp conditions restrict the possible terms in variational calculations. Constraints for the linear expansion coefficients are also derived and a recursion-type solution is given. Two trial functions with correct cusp conditions are determined for the ground state of the He atom. Local and global properties of these wave function are studied through calculations of mean values, local energy, and quantities related to double photoionization.

Original languageEnglish
Article number052506
JournalPhysical Review A
Volume96
Issue number5
DOIs
Publication statusPublished - Nov 15 2017

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cusps
wave functions
photoionization
expansion
ground state
coefficients
atoms
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Hylleraas- and Kinoshita-type wave functions with correct cusp conditions. / Hornyak, I.; Kruppa, A.

In: Physical Review A, Vol. 96, No. 5, 052506, 15.11.2017.

Research output: Contribution to journalArticle

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