Untitled Document
Web-Schrödinger 3.31
(C)2007-2022 G. I. Márk, Ph. Lambin, L. P. Biró, EK MFA Budapest,Hungary -- Uni Namur, Belgium
www.nanotechnology.hu
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Calculation
Results
Help & more
Mesh
Potential
Initial state
Detectors
Calculation parameters
Parameters of time development calculation
Parameters of eigenstates calculation
Time scale
Δt [au]
N
t
Calculation time step (in atomic units) and number of time steps
Output parameters
Display timestep
Display the results after this number of calculation time steps
Eigenstates
Number of states
Number of orbitals to calculate
