| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385429 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠A multistate multimode molecular dynamics is performed for monofluorobenzene radical cation (C6H5+) using time-dependent discrete variable representation (TDDVR) methodology. ⺠Parallelized TDDVR approach reduces computational time more than an order of magnitude compare to its' serial analogous calculation. ⺠TDDVR calculated photoelectron (PE), mass analyzed threshold ionization (MATI) and photoinduced Rydberg ionization (PIRI) spectra show good agreement with the profiles obtained from multiconfiguration time-dependent Hartree (MCTDH) approach.
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Authors
Subhankar Sardar, Panchanan Puzari, Satrajit Adhikari,