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The study of chemical systems using the laws and concepts of physics. This usually requires the techniques of thermodynamics, statistical mechanics and quantum mechanics.

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For what kind of systems ML-MCTDH won't work with a vibronic coupling Hamiltonian?

In solving the time-dependent Schrödinger equation (TDSE), the multiconfiguration time-dependent Hartree (MCTDH) method is an extremely versatile and powerful tool to simulate ultrafast processes and …
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