Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical Review A

Properties of the boundSstates (L=0) in Coulomb three-body systems with unit charges

David M. Bishop, Alexei M. Frolov, Vedene H. Smith

Published May 1, 1995• 28 citations
Publisher

Abstract

Various energetic, geometric, and other properties for the ground and first vibrationally excited S states (L=0) of Coulomb three-body systems having unit charges are obtained by means of accurate exponential wave functions. The mass dependence of the properties for these systems has a relatively smooth form for the ground states. The results presented should be useful as a basis for further investigation of these three-body systems. The prethreshold (weakly bound) exotic nonsymmetric systems (${\mathit{d}}^{+}$${\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{\mathrm{\ensuremath{-}}}$) considered have sharp cluster structures, i.e., the lighter positive ion moves in the field of the neutral pair (e.g., ${\mathit{d}}^{+}$ in ${\mathit{d}}^{+}$${\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}}$ moves in the field of ${\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}}$ ).

DOI
10.1103/physreva.51.3636

Related papers

Weakly bound ground states in three-body Coulomb systems with unit charges

Alexei M. Frolov, Ajit J. Thakkar

The stability of weakly bound ground states, with zero total angular momentum, in three-body Coulomb systems with unit charges, is studied by means of highly accurate variational calculations. Weakly bound ground states are predicted for a number of systems, including ${\mathit{d}}^{+}$${\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}}$, ${\mathit{t}}^{+}$${\mathit{K}}^{+}$${\mathrm{\ensuremath{\pi}}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{\mathrm{\ensuremath{-}}}$.

Physical Review A•Oct 1, 1992•26 citations

Three-body Coulomb bound states

A. K. Bhatia, Richard J. Drachman

We reexamine the binding energies of three-particle systems containing two electrons and one positive particle of mass M, in an attempt to understand the approximate proportionality of the $^{1}\mathrm{S}^{\mathrm{e}}$ ground-state binding energies to the reduced masses, as pointed out by Botero and Greene [Phys. Rev. 56, 1366 (1986)]. Our investigation involves a careful evaluation of the contribution to the energy of the mass-polarization term ${H}_{\mathrm{mp}=\mathrm{\ensuremath{-}}(2/\mathrm{M}){\ensuremath{\nabla}}_{1}\mathrm{\ensuremath{\cdot}}{\ensuremath{\nabla}}_{2}}$ which is the only part of the Hamiltonian not scaling like the reduced mass. It does not appear that any fundamental principle is involved, since we find merely that the mass polarization decreases somewhat as the mass of the positive particle is reduced below the proton mass. In the case of the excited $^{3}\mathrm{P}^{\mathrm{e}}$ state, this reduction is not sufficient to allow binding when M approaches the electron mass. As a by-product, we compute accurately some properties of the recently observed negative muonium ion (${e}^{\mathrm{\ensuremath{-}}}$${\ensuremath{\mu}}^{+}$${e}^{\mathrm{\ensuremath{-}}}$).

Physical Review A•May 1, 1987•44 citations

Bound-state properties of the positronium negative ion Ps−

Alexei M. Frolov

Various geometrical and energetical (bound-state) properties of the positronium negative ion $({\mathrm{Ps}}^{\ensuremath{-}}$ or ${e}^{\ensuremath{-}}{e}^{+}{e}^{\ensuremath{-}})$ are determined by using highly accurate variational wave functions. These wave functions have been constructed by applying the advanced two-stage strategy proposed by Frolov [Phys. Rev. A 57, 2436 (1998)]. The determined total energy of the ground state $E=\ensuremath{-}0.2620050702329757\mathrm{a}.\mathrm{u}.$ is the lowest and most accurate value obtained for this system to date (the corresponding binding energy equals $\ensuremath{-}0.326674721317821\mathrm{eV}).$ The computation of the second-order relativistic corrections $(\ensuremath{\simeq}{\ensuremath{\alpha}}^{2})$ to the total energy is discussed also. The general form of the Breit-Pauli Hamiltonian in the relative coordinates for the ${\mathrm{Ps}}^{\ensuremath{-}}$ ion is presented.

Physical Review A•Oct 1, 1999•72 citations

The excited states of the Bosonicvan der Waals clusters: A Monte Carlo study

M. Meierovich

The computational physics methods of various processes have become very popular during the last several years. Our interest in his field is predominantly motivated by the expectation that it will be possible to perform a detailed comparison between experimental and theoretical results obtained in the study of clusters of a variety of sizes. Algebraic invariants are employed to deal efficiently with the many-body correlations. We study the applicability of the developed trial wave functions over some range of particle masses, from Ar to He and lighter. We compute the ground and excited states energies and various geometric sizes of small clusters as a function of a continuously varied mass parameter. For sufficiently small masses the cluster can no longer support a bound state, and we are interested in particular in the behavior of the clusters in the vicinity of the critical mass, i.e., the point at which the binding energy approaches zero. We show that the use of bosonic polynomials provides enough variational freedom to approximate ground and excited states of clusters of any mass. We discuss how the properties of clusters change with mass.

•Jan 1, 1997•0 citations

Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses

Xabier López, Jesús María Ugalde, Lorenzo Echevarría +1 more

A Hookean model of a three-body problem for particles with arbitrary masses and charges where two of them interact with each other through a Coulomb potential and with the third through a harmonic potential is presented. It is shown that a condition relating the masses to the harmonic coupling constants must be satisfied in order to render this problem separable. A general exact analytic solution written in terms of the relative interparticle coordinates is given as well as general expressions for the total and binding energies of this three-body system. We apply these results to examine electronic, muonic, antiprotonic, and pionic families of non-Born-Oppenheimer Hookean systems. The first contains the atoms or atomic ions: ${\mathrm{Ps}}^{\ensuremath{-}}({e}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, ${\mathrm{H}}^{\ensuremath{-}}({p}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, ${\mathrm{D}}^{\ensuremath{-}}({d}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, ${\mathrm{T}}^{\ensuremath{-}}({p}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, $^{4}\mathrm{He}(h{e}^{+2}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, and the following molecular ions: ${\mathrm{Ps}}_{2}^{+}({e}^{\ensuremath{-}}{e}^{+}{e}^{+})$, ${\mathrm{H}}_{2}^{+}({e}^{\ensuremath{-}}{p}^{+}{p}^{+})$, $\mathrm{H}{\mathrm{D}}^{+}({e}^{\ensuremath{-}}{d}^{+}{p}^{+})$, ${\mathrm{HT}}^{+}({e}^{\ensuremath{-}}{t}^{+}{p}^{+})$, ${\mathrm{DT}}^{+}({e}^{\ensuremath{-}}{d}^{+}{t}^{+})$, ${\mathrm{D}}_{2}^{+}({e}^{\ensuremath{-}}{d}^{+}{d}^{+})$, ${\mathrm{T}}_{2}^{+}({e}^{\ensuremath{-}}{t}^{+}{t}^{+})$. The muonic and antiprotonic families are similar to the electronic ones except that the species are formed replacing ${e}^{\ensuremath{-}}$ by ${\ensuremath{\mu}}^{\ensuremath{-}}$ or ${p}^{\ensuremath{-}}$. The pionic family comprises exotic atoms containing at least one pion. We also apply these results to two-electron three-dimensional spherical quantum dots and for these systems we examine the effect of electronic correlation, particularly on the singlet-triplet transitions and on the collective motion of the electrons and center of mass leading to ``floppy''dynamics.

Physical Review A•Oct 6, 2006•18 citations

Predicting the stability of atom-like and molecule-like unit-charge Coulomb three-particle systems

Andrew W. King, Patrick E. Herlihy, Hazel Cox

Non-relativistic quantum chemical calculations of the particle mass, m±2, corresponding to the dissociation threshold in a range of Coulomb three-particle systems of the form m±1m±2m±3, are performed variationally using a series solution method with a Laguerre-based wavefunction. These masses are used to calculate an accurate stability boundary, i.e., the line that separates the stability domain from the instability domains, in a reciprocal mass fraction ternary diagram. This result is compared to a lower bound to the stability domain derived from symmetric systems and reveals the importance of the asymmetric (mass-symmetry breaking) terms in the Hamiltonian at dissociation. A functional fit to the stability boundary data provides a simple analytical expression for calculating the minimum mass of a third particle required for stable binding to a two-particle system, i.e., for predicting the bound state stability of any unit-charge three-particle system.

The Journal of Chemical Physics•Jul 28, 2014•9 citations
Various energetic, geometric, and other properties for the ground and first vibrationally excited S states (L=0) of Coulomb three-body systems having unit charges are obtained by means of accurate exponential wave functions. The mass dependence of the properties for these systems has a relatively smooth form for the ground states. The results presented should be useful as a basis for further investigation of these three-body systems. The prethreshold (weakly bound) exotic nonsymmetric systems ({\mathit{d}}^{+}$${\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}}, {\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{\mathrm{\ensuremath{-}}}, and {\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{\mathrm{\ensuremath{-}}}) considered have sharp cluster structures, i.e., the lighter positive ion moves in the field of the neutral pair (e.g., d+{\mathit{d}}^{+}d+ in {\mathit{d}}^{+}$${\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}} moves in the field of {\mathit{t}}^{+}$${\mathit{p}}^{\mathrm{\ensuremath{-}}} ).
The stability of weakly bound ground states, with zero total angular momentum, in three-body Coulomb systems with unit charges, is studied by means of highly accurate variational calculations. Weakly bound ground states are predicted for a number of systems, including d+{\mathit{d}}^{+}d+t+{\mathit{t}}^{+}t+${\mathit{p}}^{\mathrm{\ensuremath{-}}}$, t+{\mathit{t}}^{+}t+K+{\mathit{K}}^{+}K+${\mathrm{\ensuremath{\pi}}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{\ensuremath{\pi}}}^{+}$${\mathrm{\ensuremath{\mu}}}^{+}$${\mathrm{\ensuremath{\pi}}}^{\mathrm{\ensuremath{-}}}$.
We reexamine the binding energies of three-particle systems containing two electrons and one positive particle of mass M, in an attempt to understand the approximate proportionality of the 1Se^{1}\mathrm{S}^{\mathrm{e}}1Se ground-state binding energies to the reduced masses, as pointed out by Botero and Greene [Phys. Rev. 56, 1366 (1986)]. Our investigation involves a careful evaluation of the contribution to the energy of the mass-polarization term ${H}_{\mathrm{mp}=\mathrm{\ensuremath{-}}(2/\mathrm{M}){\ensuremath{\nabla}}_{1}\mathrm{\ensuremath{\cdot}}{\ensuremath{\nabla}}_{2}}$ which is the only part of the Hamiltonian not scaling like the reduced mass. It does not appear that any fundamental principle is involved, since we find merely that the mass polarization decreases somewhat as the mass of the positive particle is reduced below the proton mass. In the case of the excited 3Pe^{3}\mathrm{P}^{\mathrm{e}}3Pe state, this reduction is not sufficient to allow binding when M approaches the electron mass. As a by-product, we compute accurately some properties of the recently observed negative muonium ion (${e}^{\mathrm{\ensuremath{-}}}$${\ensuremath{\mu}}^{+}$${e}^{\mathrm{\ensuremath{-}}}$).
Various geometrical and energetical (bound-state) properties of the positronium negative ion $({\mathrm{Ps}}^{\ensuremath{-}}$ or ${e}^{\ensuremath{-}}{e}^{+}{e}^{\ensuremath{-}})$ are determined by using highly accurate variational wave functions. These wave functions have been constructed by applying the advanced two-stage strategy proposed by Frolov [Phys. Rev. A 57, 2436 (1998)]. The determined total energy of the ground state $E=\ensuremath{-}0.2620050702329757\mathrm{a}.\mathrm{u}.$ is the lowest and most accurate value obtained for this system to date (the corresponding binding energy equals $\ensuremath{-}0.326674721317821\mathrm{eV}).$ The computation of the second-order relativistic corrections $(\ensuremath{\simeq}{\ensuremath{\alpha}}^{2})$ to the total energy is discussed also. The general form of the Breit-Pauli Hamiltonian in the relative coordinates for the ${\mathrm{Ps}}^{\ensuremath{-}}$ ion is presented.
The computational physics methods of various processes have become very popular during the last several years. Our interest in his field is predominantly motivated by the expectation that it will be possible to perform a detailed comparison between experimental and theoretical results obtained in the study of clusters of a variety of sizes. Algebraic invariants are employed to deal efficiently with the many-body correlations. We study the applicability of the developed trial wave functions over some range of particle masses, from Ar to He and lighter. We compute the ground and excited states energies and various geometric sizes of small clusters as a function of a continuously varied mass parameter. For sufficiently small masses the cluster can no longer support a bound state, and we are interested in particular in the behavior of the clusters in the vicinity of the critical mass, i.e., the point at which the binding energy approaches zero. We show that the use of bosonic polynomials provides enough variational freedom to approximate ground and excited states of clusters of any mass. We discuss how the properties of clusters change with mass.
A Hookean model of a three-body problem for particles with arbitrary masses and charges where two of them interact with each other through a Coulomb potential and with the third through a harmonic potential is presented. It is shown that a condition relating the masses to the harmonic coupling constants must be satisfied in order to render this problem separable. A general exact analytic solution written in terms of the relative interparticle coordinates is given as well as general expressions for the total and binding energies of this three-body system. We apply these results to examine electronic, muonic, antiprotonic, and pionic families of non-Born-Oppenheimer Hookean systems. The first contains the atoms or atomic ions: ${\mathrm{Ps}}^{\ensuremath{-}}({e}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, ${\mathrm{H}}^{\ensuremath{-}}({p}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, ${\mathrm{D}}^{\ensuremath{-}}({d}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, ${\mathrm{T}}^{\ensuremath{-}}({p}^{+}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, $^{4}\mathrm{He}(h{e}^{+2}{e}^{\ensuremath{-}}{e}^{\ensuremath{-}})$, and the following molecular ions: ${\mathrm{Ps}}_{2}^{+}({e}^{\ensuremath{-}}{e}^{+}{e}^{+})$, ${\mathrm{H}}_{2}^{+}({e}^{\ensuremath{-}}{p}^{+}{p}^{+})$, $\mathrm{H}{\mathrm{D}}^{+}({e}^{\ensuremath{-}}{d}^{+}{p}^{+})$, ${\mathrm{HT}}^{+}({e}^{\ensuremath{-}}{t}^{+}{p}^{+})$, ${\mathrm{DT}}^{+}({e}^{\ensuremath{-}}{d}^{+}{t}^{+})$, ${\mathrm{D}}_{2}^{+}({e}^{\ensuremath{-}}{d}^{+}{d}^{+})$, ${\mathrm{T}}_{2}^{+}({e}^{\ensuremath{-}}{t}^{+}{t}^{+})$. The muonic and antiprotonic families are similar to the electronic ones except that the species are formed replacing ${e}^{\ensuremath{-}}$ by ${\ensuremath{\mu}}^{\ensuremath{-}}$ or ${p}^{\ensuremath{-}}$. The pionic family comprises exotic atoms containing at least one pion. We also apply these results to two-electron three-dimensional spherical quantum dots and for these systems we examine the effect of electronic correlation, particularly on the singlet-triplet transitions and on the collective motion of the electrons and center of mass leading to ``floppy''dynamics.
Non-relativistic quantum chemical calculations of the particle mass, m±2, corresponding to the dissociation threshold in a range of Coulomb three-particle systems of the form m±1m±2m±3, are performed variationally using a series solution method with a Laguerre-based wavefunction. These masses are used to calculate an accurate stability boundary, i.e., the line that separates the stability domain from the instability domains, in a reciprocal mass fraction ternary diagram. This result is compared to a lower bound to the stability domain derived from symmetric systems and reveals the importance of the asymmetric (mass-symmetry breaking) terms in the Hamiltonian at dissociation. A functional fit to the stability boundary data provides a simple analytical expression for calculating the minimum mass of a third particle required for stable binding to a two-particle system, i.e., for predicting the bound state stability of any unit-charge three-particle system.