Parents
Sign in to add mentor| Robert J. McMahon | grad student | 2002-2007 | UW Madison | |
| (Matrix-isolation spectroscopy of triplet mono- and dialkyl-substituted pentadiynylidenes and interpretation of their electronic absorption spectra.) | ||||
| Tucker Carrington | post-doc | 2014- | Queens University, Ontario | |
| Terry A. Miller | post-doc | 2007-2010 | Ohio State | |
| Geert-Jan Kroes | post-doc | 2011-2014 | Leiden | |
Collaborators
Sign in to add collaborator| Hans-Dieter Meyer | collaborator | 2012-2014 | Heidelberg University | |
| (Wigner rotation matrix implementation in Heidelberg MCTDH code) | ||||
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Publications
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| Thomas PS, Carrington T, Agarwal J, et al. (2018) Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene. The Journal of Chemical Physics. 149: 064108 |
| Thomas PS, Carrington T. (2017) An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms. The Journal of Chemical Physics. 146: 204110 |
| Füchsel G, Thomas PS, den Uyl J, et al. (2016) Rotational effects on the dissociation dynamics of CHD3 on Pt(111). Physical Chemistry Chemical Physics : Pccp |
| Leclerc A, Thomas PS, Carrington T. (2016) Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions Molecular Physics. 115: 1740-1749 |
| Thomas PS, Carrington T. (2015) Using Nested Contractions and a Hierarchical Tensor Format to Compute Vibrational Spectra of Molecules with Seven Atoms. The Journal of Physical Chemistry. A |
| Thomas PS, Somers MF, Hoekstra AW, et al. (2012) Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces. Physical Chemistry Chemical Physics : Pccp. 14: 8628-43 |
| Melnik D, Thomas PS, Miller TA. (2011) Electronic transition moment for the 0(0)(0) band of the à ← X̃ transition in the ethyl peroxy radical. The Journal of Physical Chemistry. A. 115: 13931-41 |
| Thomas PS, Miller TA. (2011) The Ã-X̃ electronic absorption of cyclopentadienyl peroxy radical (c-C5H5OO): A cavity ringdown spectroscopic and computational study Chemical Physics Letters. 514: 196-201 |
| Thomas PS, Kline ND, Miller TA. (2010) Ã-X absorption of propargyl peroxy radical (H-C≡C-CH2OO·): a cavity ring-down spectroscopic and computational study. The Journal of Physical Chemistry. A. 114: 12437-46 |
| Thomas PS, Bowling NP, Burrmann NJ, et al. (2010) Dialkynyl carbene derivatives: generation and characterization of triplet tert-butylpentadiynylidene (t-Bu-C≡C-C̈-C≡C-H) and dimethylpentadiynylidene (Me-C≡C-C̈-C≡C-Me). The Journal of Organic Chemistry. 75: 6372-81 |