Abstract
We propose a variant of the multiconfiguration time-dependent Hartree (MCTDH) method within the framework of Hermite-distributed approximating functional (HDAF) method. The discretized Hamiltonian is a highly banded Toeplitz matrix which significantly reduces computational cost in terms of both storage and number of operations. The method proposed is employed to carry out the study of tunnelling dynamics of two coupled double well oscillators. We have calculated the orthogonality time τ, which is a measure of the time interval for an initial state to evolve into its orthogonal state. It is observed that the coupling has a significant effect on τ.
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Acknowledgement
The author sincerely thanks Department of Chemistry, Bidhannagar College, for providing computational facility.
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MAJI, K. Hermite-distributed approximating functional-based formulation of multiconfiguration time-dependent Hartree method: A case study of quantum tunnelling in a coupled double-well system. Pramana - J Phys 87, 34 (2016). https://doi.org/10.1007/s12043-016-1243-5
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DOI: https://doi.org/10.1007/s12043-016-1243-5
Keywords
- Tunnelling dynamics
- Hermite-distributed approximating functionals
- multiconfiguration time-dependent Hartree method
- orthogonality time.