most citedThe multi-configurational time-dependent Hartree approach in optimized second quantization: imaginary time propagation and particle number conservation

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physics.chem-ph2019★ 16 cited

The multi-configurational time-dependent Hartree approach in optimized second quantization: imaginary time propagation and particle number conservation

Thomas Weike, Uwe Manthe

The multi-layer multi-configurational time-dependent Hartree (MCTDH) in optimized second quantization representation (oSQR) approach combines the tensor contraction scheme of the m…

physics.chem-ph2016

Wave packet dynamics in the optimal superadiabatic approximation

Volker Betz, Benjamin D. Goddard, Uwe Manthe

We explain the concept of superadiabatic approximations and show how in the context of the Born- Oppenheimer approximation they lead to an explicit formula that can be used to pred…