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

@article{Weike2020TheMT,
  title={The multi-configurational time-dependent Hartree approach in optimized second quantization: Imaginary time propagation and particle number conservation.},
  author={Thomas Weike and Uwe Manthe},
  journal={The Journal of chemical physics},
  year={2020},
  volume={152 3},
  pages={
          034101
        }
}
The multilayer multiconfigurational time-dependent Hartree (MCTDH) in optimized second quantization representation (oSQR) approach combines the tensor contraction scheme of the multilayer MCTDH approach with the use of an optimized time-dependent orbital basis. Extending the original work on the subject [U. Manthe and T. Weike, J. Chem. Phys. 146, 064117 (2017)], here MCTDH-oSQR propagation in imaginary time and properties related to particle number conservation are studied. Differences between… 

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