Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering
Calculations of rotationally inelastic scattering at thermal energies for a model atom-diatom system have been performed using two completely different methodologies. The first method is the multi-configuration time-dependent Hartree (MCTDH) wave packet method, and the second is the well known, time...
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| Main Authors: | , , , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
24 August 2013
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| In: |
Chemical physics letters
Year: 2013, Volume: 585, Pages: 184-188 |
| DOI: | 10.1016/j.cplett.2013.08.083 |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1016/j.cplett.2013.08.083 Verlag, lizenzpflichtig, Volltext: https://www.sciencedirect.com/science/article/pii/S0009261413010944 
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| Author Notes: | R.F. Malenda, F. Gatti, H.-D. Meyer, D. Talbi, A.P. Hickman |
| Summary: | Calculations of rotationally inelastic scattering at thermal energies for a model atom-diatom system have been performed using two completely different methodologies. The first method is the multi-configuration time-dependent Hartree (MCTDH) wave packet method, and the second is the well known, time-independent, Arthurs and Dalgarno coupled channel formalism. Excellent agreement is obtained between the two calculations. The advantages and drawbacks of these two methods are somewhat complementary, so that the decision to use one or the other approach will depend on what type of computational results are desired. |
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| Item Description: | Gesehen am 16.06.2021 |
| Physical Description: | Online Resource |
| DOI: | 10.1016/j.cplett.2013.08.083 |