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  • Starting ABM algorithm

Starting ABM algorithm · Changes

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Update Starting ABM algorithm authored Feb 20, 2026 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Starting-ABM-algorithm.md
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......@@ -5,7 +5,7 @@ f(y,t) \equiv \dfrac{1}{i}(\hat{H}(\{\varphi_n\},t)-\langle H\rangle_n)\varphi_n
for four time steps back: $`f_{k-1}`$, $`f_{k-2}`$, $`f_{k-3}`$, $`f_{k-4}`$.
# Starting from a stationary state
In the case of a stationary state, $`\varphi_n`$ are eigenstates of the Hamiltonian, and the instantaneous quasi-particle energies are equal to quasiparticle energies $`E_n=\textrm{const}`$. Then, as long as the Hamiltonian does not depend on the time we obtain:
In the case of a stationary state, $`\varphi_n`$ are eigenstates of the Hamiltonian, and the instantaneous quasi-particle energies are equal to quasiparticle energies $`E_n=\textrm{const}`$. Then, as long as the Hamiltonian does not depend on the time, we obtain:
```math
f_{k-1}=f_{k-2}=f_{k-3}=f_{k-4}=0
```
......@@ -17,11 +17,11 @@ selfstart 0 # use Taylor expansion for the first 5 steps?
# Starting from a non-stationary state
In this case, we need to generate the first five steps using single-step method. In the case of `td-wslda`, we use a method based on Taylor expansion of the evolution operator:
In this case, we need to generate the first five steps using the single-step method. In the case of `td-wslda`, we use a method based on the Taylor expansion of the evolution operator:
```math
\varphi_n(\bm{r},t+\Delta t) = e^{-i(\hat{H}(\{\varphi_n\},t)-\langle H\rangle_n)\Delta t}\varphi_n(\bm{r},t)\approx \sum_{k=0}^{4}\frac{(-i\Delta t)^k}{k!}(\hat{H}(\{\varphi_n\},t)-\langle H\rangle_n)^k\varphi_n(\bm{r},t)
```
where we expanded the evolution operator into the Taylor series up to the same order as the precision of the ABM algorithm.
where we expanded the evolution operator into a Taylor series up to the same order as the ABM algorithm's precision.
To use the Taylor expansion method for the generation of the first five steps, you need to select in the input file:
```bash
......
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Content of Documentation
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W-BSK Toolkit