Comments (1)
This solver uses Hartree atomic units by default, which are more convenient for atomic scale computations.
Common SI unit factor conversions are found here. If you have the constants of your system specified in SI units, let's say, for example, 0.05 Joules, for converting to atomic units, you need to import the J constant and multiply your SI specified energy by it and will be converted to qmsolve atomic energy units (hartrees).
from qmsolve import J
energy = 0.05*J
More commonly energy of quantum systems are specified in eV. In the quantum harmonic oscillator example the oscillator k constant is specified eV / Å**2. When multiplied by these two conversion factors, the k constant will be numerically expressed in atomics units, hartrees/bohr_radius **2
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Related Issues (14)
- Animation error HOT 2
- Non-printable characters
- In 1D is time double faster than p_x0 in initial gaussians? HOT 1
- Trying To Specify a 3D Potential, Wierd Gaps HOT 1
- Request: Add Eigsh-Cupy Mode HOT 1
- Simulate make Ising Hamiltonin HOT 1
- Imaginary part of the wave function HOT 3
- Bohmian trajectories for time dependent wave functions HOT 3
- Request for Final year project HOT 1
- Energy Visualization problem in 4 Gaussian Wells Example
- Visualization of potential isn't correct for negative values of V0 in 1D_potential_barrier.py
- Export 3D animation to files? HOT 3
- The solver doesn't work correctly when there are negative eigenvalues HOT 2
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