On the products of bipolar harmonics

DOI10.1007/S10910-014-0466-2MaRDI QIDQ2353558zbMATH OpenOpenAlexFDO

Authors Alexei M. Frolov, David M. Wardlaw

Publication date 15 July 2015

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1302.5996

zbMATH Keywords

angularbipolarfew-bodyradial

Mathematics Subject Classification ID

Hypergeometric integrals and functions defined by them ((E), (G), (H) and (I) functions) (33C60) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Atomic physics (81V45)

Abstract: The products of the two and three bipolar harmonics $$ are represented as the finite sums of powers of the three relative coordinates $r_{32},r_{31}$ and $r_{21}$. The complete (angular+radial) integrals of the products of the two and three bipolar harmonics in the basis of exponential radial functions are expressed as finite sums of the auxiliary three-particle integrals $$. The formulas derived in this study can be used to accelerate highly accurate computations of the rotationally excited (bound) states in arbitrary three-body systems. In particular, we have constructed compact (400-term) variational wave functions for the triplet and singlet $2P(L=1)-$states in light two-electron atoms and ions. Highly accurate calculations (20 - 21 stable decimal digits in the total energy) of the triplet and singlet $2P(L=1)-$states in the two-electron Li${}^{+}$, Be${}^{2+}$, B${}^{3+}$ and C${}^{4+}$ ions are performed for the first time

Recommendations

• The basis of three-particle hyperspherical harmonics in 'democratic' variables
• Evaluation of Hylleraas-CI atomic integrals by integration over the coordinates of one electron. I: Three-electron integrals
• Correlated hyperspherical harmonics
• Alternative sets of hyperspherical harmonics: Satisfying cusp conditions through frame transformations
• The two-electron atomic systems. S-states

Cites work

• Ground State of Two-Electron Atoms
• scientific article; zbMATH DE number 3130071 (Why is no real title available?)
• scientific article; zbMATH DE number 1528193 (Why is no real title available?)
• scientific article; zbMATH DE number 862958 (Why is no real title available?)
• scientific article; zbMATH DE number 3285978 (Why is no real title available?)

This page was built for publication: On the products of bipolar harmonics

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2353558)