Use of the Fock expansion forstate1wave functions of two-electron atoms and ions
- 1 December 1985
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 32 (6) , 3219-3230
- https://doi.org/10.1103/physreva.32.3219
Abstract
The exact representation of a two-electron wave function near the origin is the Fock expansion, i.e., a double summation over powers of R and of lnR [where R≡(+ ] with coefficients dependent on the five remaining angular variables. Using a representation of hyperspherical harmonics, we present here the first numerical solution of the equations for the Fock coefficients. We present also a general procedure for matching a linear combination of Fock-series solutions onto a basis of adiabatic hyperspherical functions at a matching radius . This matching procedure ensures that the proper asymptotic boundary conditions are satisfied. Exploratory numerical results are presented for wave functions of He and in which four Fock-series solutions are matched onto the lowest adiabatic hyperspherical wave function at a matching radius near the first antinode in the adiabatic wave function.
Keywords
This publication has 30 references indexed in Scilit:
- Wannier threshold theory for the Coulomb break-up of three-particle systemsJournal of Physics B: Atomic and Molecular Physics, 1984
- Variational calculations on the helium isoelectronic sequencePhysical Review A, 1984
- ψ2,0 in the Fock expansion for He 1S state wavefunctionsThe Journal of Chemical Physics, 1975
- Variational calculations with a hyperspherical basis on atomic heliumTheoretical Chemistry Accounts, 1975
- New Developments in the Application of Hyperspherical Coordinates to Atomic Wave FunctionsPhysical Review Letters, 1974
- Application of the Fock Expansion to Doubly Excited States of the Helium AtomPhysical Review B, 1967
- Logarithmic Terms in the Wave Functions of the Ground State of Two-Electron AtomsPhysical Review B, 1966
- The Helium Wave EquationPhysical Review B, 1937
- The Helium Wave EquationPhysical Review B, 1937
- The Normal Helium AtomPhysical Review B, 1935