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```@meta | ||
CurrentModule = Antique | ||
``` | ||
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# Coulomb 2-Body System | ||
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This is the model of two particles interacting through Coulomb forces such as positronium, muonium, hydrogen atoms, deuterium atoms, etc. | ||
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## Definitions | ||
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This model is described with the time-independent Schrödinger equation | ||
```math | ||
\hat{H} \psi(\pmb{r}) = E \psi(\pmb{r}), | ||
``` | ||
and the Hamiltonian | ||
```math | ||
\hat{H} = - \frac{\hbar^2}{2\mu} \nabla^2 + V(r), | ||
``` | ||
where $\mu=\left(\frac{1}{m_1}+\frac{1}{m_2}\right)^{-1}$ is the reduced mass of particle 1 and particle 2. The potential includes only Coulomb interaction and it does not include fine or hyperfine interactions in this model. Parameters are specified with the following struct. | ||
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#### Parameters | ||
```@docs; canonical=false | ||
Antique.CoulombTwoBody | ||
``` | ||
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#### Potential | ||
```@docs; canonical=false | ||
Antique.V(::CoulombTwoBody, ::Any) | ||
``` | ||
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#### Eigen Values | ||
```@docs; canonical=false | ||
Antique.E(::CoulombTwoBody) | ||
``` | ||
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#### Eigen Functions | ||
```@docs; canonical=false | ||
Antique.ψ(::CoulombTwoBody, ::Any, ::Any, ::Any) | ||
``` | ||
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#### Radial Functions | ||
```@docs; canonical=false | ||
Antique.R(::CoulombTwoBody, ::Any) | ||
``` | ||
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#### Associated Laguerre Polynomials | ||
```@docs; canonical=false | ||
Antique.L(::CoulombTwoBody, ::Any) | ||
``` | ||
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#### Spherical Harmonics | ||
```@docs; canonical=false | ||
Antique.Y(::CoulombTwoBody, ::Any, ::Any) | ||
``` | ||
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#### Associated Legendre Polynomials | ||
```@docs; canonical=false | ||
Antique.P(::CoulombTwoBody, ::Any) | ||
``` | ||
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## Usage & Examples | ||
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[Install Antique.jl](@ref Install) for the first use and run `using Antique` before each use. The energy `E()`, wavefunction `ψ()`, potential `V()` and some other functions are suppoted. In this system, the model is generated by `CoulombTwoBody` and several parameters `z₁`, `z₂`, `m₁`, `m₂`, `mₑ`, `a₀`, `Eₕ` and `ℏ` are set as optional arguments. | ||
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```@example CTB | ||
using Antique | ||
Ps = CoulombTwoBody(z₁=-1, z₂=1, m₁=1.0, m₂=1.0, mₑ=1.0, a₀=1.0, Eₕ=1.0, ℏ=1.0) | ||
; #hide | ||
``` | ||
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#### Parameters | ||
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```@repl CTB | ||
Ps.z₁ | ||
Ps.z₂ | ||
Ps.m₁ | ||
Ps.m₂ | ||
Ps.mₑ | ||
Ps.a₀ | ||
Ps.Eₕ | ||
Ps.ℏ | ||
``` | ||
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#### Eigen Values | ||
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Examples of [positronium](https://en.wikipedia.org/wiki/Positronium#Energy_levels): | ||
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```@repl CTB | ||
E(Ps, n=1) | ||
E(Ps, n=2) | ||
``` | ||
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#### Mass and Charge Dependence | ||
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The values of masses are cited from the 2018 CODATA recommended values, [E. Tiesinga, et al., Rev. Mod. Phys. 93, 025010 (2021)](https://doi.org/10.1103/RevModPhys.93.025010). | ||
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```@example CTB | ||
me = 1.0 # me # | ||
mµ = 206.7682830 # me # https://physics.nist.gov/cgi%2Dbin/cuu/Value?mmusme | ||
mp = 1836.15267343 # me # https://physics.nist.gov/cgi%2Dbin/cuu/Value?mpsme | ||
md = 3670.48296788 # me # https://physics.nist.gov/cgi%2Dbin/cuu/Value?mdsme | ||
mt = 5496.92153573 # me # https://physics.nist.gov/cgi%2Dbin/cuu/Value?mtsme | ||
mh = 5495.88528007 # me # https://physics.nist.gov/cgi-bin/cuu/Value?mhsme | ||
ma = 7294.29954142 # me # https://physics.nist.gov/cgi-bin/cuu/Value?malsme | ||
Ps = CoulombTwoBody(m₁=me, m₂=me) | ||
Mu = CoulombTwoBody(m₁=me, m₂=mµ) | ||
H = CoulombTwoBody(m₁=me, m₂=mp) | ||
D = CoulombTwoBody(m₁=me, m₂=md) | ||
T = CoulombTwoBody(m₁=me, m₂=mt) | ||
BO = CoulombTwoBody(m₁=me, m₂=Inf) | ||
He3⁺ = CoulombTwoBody(z₁=-1, z₂=+2, m₁=me, m₂=mh) | ||
He4⁺ = CoulombTwoBody(z₁=-1, z₂=+2, m₁=me, m₂=ma) | ||
He∞⁺ = CoulombTwoBody(z₁=-1, z₂=+2, m₁=me, m₂=Inf) | ||
pμ = CoulombTwoBody(z₁=-1, z₂=+1, m₁=mµ, m₂=mp) | ||
dμ = CoulombTwoBody(z₁=-1, z₂=+1, m₁=mµ, m₂=md) | ||
tμ = CoulombTwoBody(z₁=-1, z₂=+1, m₁=mµ, m₂=mt) | ||
bμ = CoulombTwoBody(z₁=-1, z₂=+1, m₁=mµ, m₂=Inf) | ||
hμ = CoulombTwoBody(z₁=-1, z₂=+2, m₁=mµ, m₂=mh) | ||
αμ = CoulombTwoBody(z₁=-1, z₂=+2, m₁=mµ, m₂=ma) | ||
println(" \tE / Eₕ") | ||
println("Ps \t", E(Ps)) | ||
println("Mu \t", E(Mu)) | ||
println("H \t", E(H)) | ||
println("D \t", E(D)) | ||
println("T \t", E(T)) | ||
println("∞H \t", E(BO)) | ||
println("³He⁺\t", E(He3⁺)) | ||
println("⁴He⁺\t", E(He4⁺)) | ||
println("∞He⁺\t", E(He∞⁺)) | ||
println("pμ \t", E(pμ)) | ||
println("dμ \t", E(dμ)) | ||
println("tμ \t", E(tμ)) | ||
println("bμ \t", E(bμ)) | ||
println("hμ \t", E(hμ)) | ||
println("αμ \t", E(αμ)) | ||
``` | ||
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```@example CTB | ||
println(" \t<δ³(r)> / a₀⁻³") | ||
println("1/8π =\t", 1/8/π) | ||
println("Ps \t", abs(ψ(Ps,0,0,0))^2) | ||
println("Mu \t", abs(ψ(Mu,0,0,0))^2) | ||
println("H \t", abs(ψ(H ,0,0,0))^2) | ||
println("D \t", abs(ψ(D ,0,0,0))^2) | ||
println("T \t", abs(ψ(T ,0,0,0))^2) | ||
println("∞H \t", abs(ψ(BO,0,0,0))^2) | ||
println("1/π = \t", 1/π) | ||
``` | ||
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#### Lifetime of Positronium | ||
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The lifetime $\tau$ of positronium (Ps, $\mathrm{e}^+\mathrm{e}^-$) is written as | ||
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```math | ||
\tau = \frac{1}{\Gamma}, | ||
``` | ||
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```math | ||
\Gamma = 4 \pi \alpha^4 c {a_0}^2 \langle\delta^3(\pmb{r})\rangle. | ||
``` | ||
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where $\langle\delta^3(\pmb{r})\rangle = \langle\psi|\delta^3(\pmb{r})|\psi\rangle = |\psi(\pmb{0})|^2 = \frac{1}{8\pi} a_0^{-3} \simeq 2.685\times10^{29}~\mathrm{m}^{-3}$ is the value of probability density at the origin ($r=0$). Reference: | ||
- (7.169) in D. J. Griffiths, Introduction to Elementary Particles (John Wiley & Sons, Inc. 1987) ISBN 0-471-60386-4 | ||
- [S. Berko, H. N. Pendleton, Annual Review of Nuclear and Particle Science, 30, 543 (1980)](https://doi.org/10.1146/annurev.ns.30.120180.002551) | ||
- [A. M. Frolov, S. I. Kryuchkov, and V. H. Smith, Jr., Phys. Rev. A, 51, 4514 (1995)](https://doi.org/10.1103/PhysRevA.51.4514) | ||
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```@example CTB | ||
α = 7.2973525693e-3 # # https://physics.nist.gov/cgi-bin/cuu/Value?alph | ||
c = 299792458 # m s-1 # https://physics.nist.gov/cgi-bin/cuu/Value?c | ||
a₀ = 5.29177210903e-11 # m # https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0 | ||
Ps = CoulombTwoBody(z₁=1, z₂=-1, m₁=1.0, m₂=1.0, mₑ=1.0, a₀=1.0, Eₕ=1.0, ℏ=1.0) | ||
δ = abs(ψ(Ps,0,0,0))^2 * a₀^(-3) | ||
Γ = 4 * π * α^4 * c * a₀^2 * δ | ||
τ = 1/Γ | ||
println("<δ> = ", abs(ψ(Ps,0,0,0))^2, " a₀⁻³") | ||
println(" = ", δ, " m⁻³") | ||
println("Γ = ", Γ / 1e9, " GHz") | ||
println("τ = ", τ / 1e-12, " ps") | ||
``` | ||
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#### Hyperfine Splitting | ||
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The hyperfine splitting of hydrogen atoms is given as | ||
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```math | ||
\Delta E (\mathrm{H}) = -\frac{2}{3} \mu_0 \gamma_\mathrm{p} \gamma_\mathrm{e} \hbar^2 \langle\delta^3(\pmb{r})\rangle | ||
``` | ||
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in [Griffiths(1982)](https://doi.org/10.1119/1.12733). This fomula is not available for deuterium (D) and positronium (Ps). Because of the different spin between the proton and the deuteron for D, the contribution of positron-electron pair annihilation for Ps. Note the definition of gyromagnetic ratio. The mass of protons is used for all nucleons and nuclei: | ||
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```math | ||
\begin{aligned} | ||
&\gamma_\mathrm{e} = \frac{-e}{2 m_\mathrm{e}} g_\mathrm{e}, & | ||
&\gamma_\mathrm{e^+} = \frac{+e}{2 m_\mathrm{e}} g_\mathrm{e}, & | ||
&\gamma_\mathrm{\mu} = \frac{-e}{2 m_\mathrm{\mu}} g_\mathrm{\mu}, \\ | ||
&\gamma_\mathrm{p} = \frac{+e}{2 m_\mathrm{p}} g_\mathrm{p}, & | ||
&\gamma_\mathrm{d} = \frac{+e}{2 m_\mathrm{p}} g_\mathrm{d}, & | ||
&\gamma_\mathrm{t} = \frac{+e}{2 m_\mathrm{p}} g_\mathrm{t}, & | ||
&\gamma_\mathrm{h} = \frac{+2e}{2 m_\mathrm{p}} g_\mathrm{h}. & | ||
\end{aligned} | ||
``` | ||
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The value of probability density at the origin is $\langle\delta^3(\pmb{r})\rangle = \langle\psi|\delta^3(\pmb{r})|\psi\rangle = |\psi(\pmb{0})|^2 \simeq \frac{1}{\pi} a_0^{-3} \simeq 2.148\times10^{30}~\mathrm{m}^{-3}$ in Mu, H, D and T. This values are very different in Ps, $^3\mathrm{He}^+$ and muonic hydrogen ($\mathrm{p\mu}$) due to the difference of reduced masses and charges. The energy can be converted to frequency (Hz) by $v = \Delta E / h$. | ||
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```@example CTB | ||
a₀ = 5.29177210903e-11 # m # https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0 | ||
Eₕ = 4.3597447222071e-18 # J # https://physics.nist.gov/cgi-bin/cuu/Value?hr | ||
ℏ = 1.054571817e-34 # J s # https://physics.nist.gov/cgi-bin/cuu/Value?hbar | ||
me = 9.1093837015e-31 # kg # https://physics.nist.gov/cgi-bin/cuu/Value?me | ||
mµ = 1.883531627e-28 # kg # https://physics.nist.gov/cgi-bin/cuu/Value?mmu | ||
mp = 1.67262192369e-27 # kg # https://physics.nist.gov/cgi-bin/cuu/Value?mp | ||
md = 3.3435837724e-27 # kg # https://physics.nist.gov/cgi-bin/cuu/Value?md | ||
mt = 5.0073567446e-27 # kg # https://physics.nist.gov/cgi-bin/cuu/Value?mt | ||
mh = 5.0064127796e-27 # kg # https://physics.nist.gov/cgi-bin/cuu/Value?mh | ||
e = 1.602176634e-19 # C # https://physics.nist.gov/cgi-bin/cuu/Value?e | ||
µ₀ = 1.25663706212e-6 # N A-2 # https://physics.nist.gov/cgi-bin/cuu/Value?mu0 | ||
h = 6.62607015e-34 # J Hz-1 # https://physics.nist.gov/cgi-bin/cuu/Value?h | ||
eV = 1.602176634e-19 # J # https://physics.nist.gov/cgi-bin/cuu/Value?evj | ||
ge = 2.00231930436256 # https://physics.nist.gov/cgi-bin/cuu/Value?gem | ||
gµ = 2.0023318418 # https://physics.nist.gov/cgi-bin/cuu/Value?gmum | ||
gp = 5.5856946893 # https://physics.nist.gov/cgi-bin/cuu/Value?gp | ||
gd = 0.8574382338 # https://physics.nist.gov/cgi-bin/cuu/Value?gdn | ||
gt = 5.957924931 # https://physics.nist.gov/cgi-bin/cuu/Value?gtn | ||
gh = -4.255250615 # https://physics.nist.gov/cgi-bin/cuu/Value?ghn | ||
Ps = CoulombTwoBody(z₁=-1, z₂=+1, m₁=me, m₂=me, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
Mu = CoulombTwoBody(z₁=-1, z₂=+1, m₁=me, m₂=mµ, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
H = CoulombTwoBody(z₁=-1, z₂=+1, m₁=me, m₂=mp, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
D = CoulombTwoBody(z₁=-1, z₂=+1, m₁=me, m₂=md, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
T = CoulombTwoBody(z₁=-1, z₂=+1, m₁=me, m₂=mt, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
he = CoulombTwoBody(z₁=-1, z₂=+2, m₁=me, m₂=mh, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
pμ = CoulombTwoBody(z₁=-1, z₂=+1, m₁=mµ, m₂=mp, mₑ=me, a₀=a₀, Eₕ=Eₕ, ℏ=ℏ) | ||
ΔE_H = 2/3 / 4 * µ₀ * ℏ^2 * e^2 * ge / me * gp / mp * abs(ψ(H,0,0,0))^2 | ||
ΔE_D = 1 / 4 * µ₀ * ℏ^2 * e^2 * ge / me * gd / mp * abs(ψ(D,0,0,0))^2 | ||
ΔE_T = 2/3 / 4 * µ₀ * ℏ^2 * e^2 * ge / me * gt / mp * abs(ψ(H,0,0,0))^2 | ||
ΔE_Ps = 7/6 / 4 * µ₀ * ℏ^2 * e^2 * ge / me * ge / me * abs(ψ(Ps,0,0,0))^2 | ||
ΔE_Mu = 2/3 / 4 * µ₀ * ℏ^2 * e^2 * ge / me * gµ / mµ * abs(ψ(Mu,0,0,0))^2 | ||
ΔE_he = 2/3 / 4 * µ₀ * ℏ^2 * e^2 * ge / me * gh / mp * abs(ψ(he,0,0,0))^2 | ||
ΔE_pµ = 2/3 / 4 * µ₀ * ℏ^2 * e^2 * gµ / mµ * gp / mp * abs(ψ(pµ,0,0,0))^2 | ||
println("H \t", ΔE_H / h / 1e6, " MHz (Antique.jl + CODATA2018)") | ||
println(" \t", "1420.405751768(1) MHz (https://doi.org/10.48550/arXiv.hep-ph/0109128)") | ||
println("D \t", ΔE_D / h / 1e6, " MHz (Antique.jl + CODATA2018)") | ||
println(" \t", "327.384352522(2) MHz (https://doi.org/10.48550/arXiv.hep-ph/0109128)") | ||
println("T \t", ΔE_T / h / 1e6, " MHz (Antique.jl + CODATA2018)") | ||
println(" \t", "1516.701470773(8) MHz (https://doi.org/10.48550/arXiv.hep-ph/0109128)") | ||
println("Ps\t", ΔE_Ps / h / 1e6, " MHz (Antique.jl + CODATA2018)") | ||
println(" \t", "203391.7(6) MHz (https://doi.org/10.48550/arXiv.hep-ph/0310099)") | ||
println("Mu\t", ΔE_Mu / h / 1e6, " MHz (Antique.jl + CODATA2018)") | ||
println(" \t", "4463.30278(5) MHz (https://doi.org/10.48550/arXiv.hep-ph/0109128)") | ||
println("³He⁺\t", ΔE_he / h / 1e6, " MHz (Antique.jl + CODATA2018)") | ||
println(" \t", "-8665.649867(10) MHz (https://doi.org/10.48550/arXiv.hep-ph/0109128)") | ||
println("µp\t", ΔE_pµ / h / 1e12, " THz (Antique.jl + CODATA2018)") | ||
println(" \t", 0.182725*eV / h / 1e12 ," THz (https://doi.org/10.1119/1.12733, https://doi.org/10.1016/j.nimb.2012.04.001)") | ||
``` | ||
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## Testing | ||
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Unit testing and Integration testing were done using computer algebra system ([Symbolics.jl](https://symbolics.juliasymbolics.org/stable/)) and numerical integration ([QuadGK.jl](https://juliamath.github.io/QuadGK.jl/stable/)). The test script is [here](https://github.com/ohno/Antique.jl/blob/main/test/CoulombTwoBody.jl). | ||
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```@eval | ||
using Markdown | ||
using Antique | ||
Markdown.parse(Antique.load("../../test/result/CoulombTwoBody.log")) | ||
``` |
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