scale of length classical thory or quantum theory? list of solver choices


SPM Simulator : question for solver selection page(012b)


We introduce solvers appropriate for AFM simulation by quantum mechanical method on the angstrom scale in this page.
DFTB is suitable for the simulation.
Click the word "DFTB" in the light blue box below, and you can jump to the web page explaining about features of the DFTB solver.

The simulator for your purpose is below.

DFTB

Quantum Mechanical SPM Simulator Quantum mechanical effect is taken into account on the simulation of this solver.
DFTB is developed originally to simulate STM observation on the atomic scale, but also has the function of AFM simulation.
It is possible to calculate a frequency shift image of non contact AFM (NC-AFM), but the solver has no function to calculate a force curve.
We can use a tip and a sample with almost all chemical elements, hence we can simulate AFM of a system consists of organic materials and/or inorganic materials.

If you can't find a simulation for your purpose, mail us by clicking the illustration below.
A symbol of a position where trouble occurs will be inserted into the subject of the mail.




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