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Update README.md and index.md
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ohno committed Jun 12, 2024
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18 changes: 13 additions & 5 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -76,11 +76,15 @@ V = [-2*pi/(α[i]+α[j]) for i=1:nₘₐₓ, j=1:nₘₐₓ]
H = T + V
E, C = eigen(Symmetric(H),Symmetric(S))

# energy
# norm & energy
using Antique: E as energy, ψ, HydrogenAtom
HA = HydrogenAtom(Z=1, Eₕ=1.0, a₀=1.0, mₑ=1.0, ℏ=1.0)
println("Numerical : ", E[1])
println("Analytical: ", energy(HA,n=1))
println("Norm")
println(" numerical : ", transpose(C[:,1]) * S * C[:,1])
println(" analytical: ", 1)
println("Energy")
println(" numerical : ", E[1])
println(" analytical: ", energy(HA,n=1))

# wave function
using CairoMakie
Expand All @@ -93,8 +97,12 @@ f
```

```
Numerical : -0.49927840566748566
Analytical: -0.5
Norm
numerical : 0.9999999999999997
analytical: 1
Energy
numerical : -0.49927840566748566
analytical: -0.5
```

![](docs/src/assets/fig/demonstration.png)
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12 changes: 8 additions & 4 deletions docs/src/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -106,11 +106,15 @@ V = [-2*pi/(α[i]+α[j]) for i=1:nₘₐₓ, j=1:nₘₐₓ]
H = T + V
E, C = eigen(Symmetric(H),Symmetric(S))
# energy
# norm & energy
using Antique: E as energy, ψ, HydrogenAtom
HA = HydrogenAtom(Z=1, Eₕ=1.0, a₀=1.0, mₑ=1.0, ℏ=1.0)
println("Numerical : ", E[1])
println("Analytical: ", energy(HA,n=1))
println("Norm")
println(" numerical : ", transpose(C[:,1]) * S * C[:,1])
println(" analytical: ", 1)
println("Energy")
println(" numerical : ", E[1])
println(" analytical: ", energy(HA,n=1))
# wave function
using CairoMakie
Expand All @@ -136,4 +140,4 @@ The candidate models are listed on the Wikipedia page of [List of quantum-mechan

## Acknowledgment

This package was named by [@KB-satou](https://github.com/KB-satou) and [@ultimatile](https://github.com/ultimatile).
Thanks to all contributors. This package was named by [@KB-satou](https://github.com/KB-satou) and [@ultimatile](https://github.com/ultimatile). [@MartinMikkelsen](https://github.com/MartinMikkelsen) contributed to writing docstrings. Special thanks to [@hyrodium](https://github.com/hyrodium) for his help with managing the documentation and advice on coding style. [@lhapp27](https://github.com/lhapp27) implemented 2 models, and [@ajarifi](https://github.com/ajarifi) implemented 3 models.

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