Compact representation of helium wave functions in perimetric and hyperspherical coordinates

Research output: Contribution to journalArticle

Abstract

Variational calculations of the ground-state energy of helium are performed using a basis set representation that includes an explicit treatment of the Fock expansion in hyperspherical coordinates. The construction of basis functions that have the correct cusp behavior at three-particle coalescence points and the evaluation of integrals containing these functions is discussed. The basis set in hyperspherical coordinates is added to a basis set consisting of products of Laguerre polynomials in perimetric coordinates. It is demonstrated that the use of Fock basis functions provides a substantial improvement in the convergence rate of the basis set expansion.

Original languageEnglish (US)
Number of pages1
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume69
Issue number2
DOIs
StatePublished - Jan 1 2004

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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