robert_wyatt
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robert_wyatt [2015/07/22 12:37] – [Additional information] weinbub | robert_wyatt [2018/02/20 16:57] – [Wigner-specific research] weinbub | ||
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**Intramolecular dynamics** | **Intramolecular dynamics** | ||
In the area of intramolecular dynamics, we have developed a powerful algorithm for computing time-dependent transition probabilities. Instead of attempting to diagonalize very large matrices, we extract the useful information using a matrix recursion algorithm. The resulting algorithm, termed the RRGM, has permitted the largest calculations yet performed on high energy spectra and molecular energy flow. Particular emphasis has been placed upon analysis of the energy transfer pathways in the laser excited benzene molecule. In addition to these large recursive calculations, | In the area of intramolecular dynamics, we have developed a powerful algorithm for computing time-dependent transition probabilities. Instead of attempting to diagonalize very large matrices, we extract the useful information using a matrix recursion algorithm. The resulting algorithm, termed the RRGM, has permitted the largest calculations yet performed on high energy spectra and molecular energy flow. Particular emphasis has been placed upon analysis of the energy transfer pathways in the laser excited benzene molecule. In addition to these large recursive calculations, | ||
- | ===== Wigner-specific research ===== | ||
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===== Affiliation(s) ===== | ===== Affiliation(s) ===== |
robert_wyatt.txt · Last modified: 2020/03/07 11:56 by weinbub