Configuration-interaction calculations of positron binding to group-II elements

Michael William James Bromley; James Mitroy

doi:10.1103/PhysRevA.65.062505

Configuration-interaction calculations of positron binding to group-II elements

Michael William James Bromley, James Mitroy

Research output: Contribution to journal › Comment/debate

Abstract

The configuration-interaction (CI) method is applied to the study of positronic magnesium (e+Mg), positronic calcium (e+Ca), and positronic strontium (e+Sr). The CI expansion was seen to converge slowly with respect to Lmax, the maximum angular momentum of any orbital used to construct the CI basis. Despite doing explicit calculations with Lmax=10, extrapolation corrections to the binding energies for the Lmax→∞ limit were substantial in the case of e+Ca (25%) and e+Sr (50%). The extrapolated binding energies were 0.0162 hartree for e+Mg, 0.0165 hartree for e+Ca, and 0.0101 hartree for e+Sr. The static-dipole polarizabilities for the neutral parent atoms were computed as a by-product, giving 71.7a03, 162a03, and 204a03 for Mg, Ca, and Sr, respectively.

Original language	English
Pages (from-to)	062505-1-062505-10
Number of pages	10
Journal	Physical Review A (Atomic, Molecular and Optical Physics)
Volume	65
Issue number	6
DOIs	https://doi.org/10.1103/PhysRevA.65.062505
Publication status	Published - 2002

Access to Document

10.1103/PhysRevA.65.062505

Cite this

@article{a78032df65444960a4de22ac7c2ea439,

title = "Configuration-interaction calculations of positron binding to group-II elements",

abstract = "The configuration-interaction (CI) method is applied to the study of positronic magnesium (e+Mg), positronic calcium (e+Ca), and positronic strontium (e+Sr). The CI expansion was seen to converge slowly with respect to Lmax, the maximum angular momentum of any orbital used to construct the CI basis. Despite doing explicit calculations with Lmax=10, extrapolation corrections to the binding energies for the Lmax→∞ limit were substantial in the case of e+Ca (25%) and e+Sr (50%). The extrapolated binding energies were 0.0162 hartree for e+Mg, 0.0165 hartree for e+Ca, and 0.0101 hartree for e+Sr. The static-dipole polarizabilities for the neutral parent atoms were computed as a by-product, giving 71.7a03, 162a03, and 204a03 for Mg, Ca, and Sr, respectively.",

author = "Bromley, {Michael William James} and James Mitroy",

year = "2002",

doi = "10.1103/PhysRevA.65.062505",

language = "English",

volume = "65",

pages = "062505--1--062505--10",

journal = "Physical Review A (Atomic, Molecular and Optical Physics)",

issn = "1094-1622",

number = "6",

}

TY - JOUR

T1 - Configuration-interaction calculations of positron binding to group-II elements

AU - Bromley, Michael William James

AU - Mitroy, James

PY - 2002

Y1 - 2002

N2 - The configuration-interaction (CI) method is applied to the study of positronic magnesium (e+Mg), positronic calcium (e+Ca), and positronic strontium (e+Sr). The CI expansion was seen to converge slowly with respect to Lmax, the maximum angular momentum of any orbital used to construct the CI basis. Despite doing explicit calculations with Lmax=10, extrapolation corrections to the binding energies for the Lmax→∞ limit were substantial in the case of e+Ca (25%) and e+Sr (50%). The extrapolated binding energies were 0.0162 hartree for e+Mg, 0.0165 hartree for e+Ca, and 0.0101 hartree for e+Sr. The static-dipole polarizabilities for the neutral parent atoms were computed as a by-product, giving 71.7a03, 162a03, and 204a03 for Mg, Ca, and Sr, respectively.

AB - The configuration-interaction (CI) method is applied to the study of positronic magnesium (e+Mg), positronic calcium (e+Ca), and positronic strontium (e+Sr). The CI expansion was seen to converge slowly with respect to Lmax, the maximum angular momentum of any orbital used to construct the CI basis. Despite doing explicit calculations with Lmax=10, extrapolation corrections to the binding energies for the Lmax→∞ limit were substantial in the case of e+Ca (25%) and e+Sr (50%). The extrapolated binding energies were 0.0162 hartree for e+Mg, 0.0165 hartree for e+Ca, and 0.0101 hartree for e+Sr. The static-dipole polarizabilities for the neutral parent atoms were computed as a by-product, giving 71.7a03, 162a03, and 204a03 for Mg, Ca, and Sr, respectively.

U2 - 10.1103/PhysRevA.65.062505

DO - 10.1103/PhysRevA.65.062505

M3 - Comment/debate

VL - 65

SP - 062505-1-062505-10

JO - Physical Review A (Atomic, Molecular and Optical Physics)

JF - Physical Review A (Atomic, Molecular and Optical Physics)

SN - 1094-1622

IS - 6

ER -

Configuration-interaction calculations of positron binding to group-II elements

Abstract

Access to Document

Fingerprint

Cite this