| 1 |
Machine Learning Optimization of the Collocation Point Set for Solving the Kohn-Sham Equation
Ku J, Kamath A, Carrington T, Manzhos S
Journal of Physical Chemistry A, 123(49), 10631, 2019 |
| 2 |
Computational Study of the Rovibrational Spectra of CH2D+ and CHD2+
Simmons J, Wang XG, Carrington T
Journal of Physical Chemistry A, 123(47), 10281, 2019 |
| 3 |
The He-2-OCS complex: Comparison between theory and experiment
Oliaee JN, Moazzen-Ahmadi N, McKellar ARW, Wang XG, Carrington T
Chemical Physics Letters, 694, 35, 2018 |
| 4 |
Using symmetry-adapted optimized sum-of-products basis functions to calculate vibrational spectra
Leclerc A, Carrington T
Chemical Physics Letters, 644, 183, 2016 |
| 5 |
Computing the Anharmonic Vibrational Spectrum of UF6 in 15 Dimensions with an Optimized Basis Set and Rectangular Collocation
Manzhos S, Carrington T, Laverdure L, Mosey N
Journal of Physical Chemistry A, 119(36), 9557, 2015 |
| 6 |
Using Nested Contractions and a Hierarchical Tensor Format To Compute Vibrational Spectra of Molecules with Seven Atoms
Thomas PS, Carrington T
Journal of Physical Chemistry A, 119(52), 13074, 2015 |
| 7 |
Approximate First-Principles Anharmonic Calculations of Polyatomic Spectra Using MP2 and B3LYP Potentials: Comparisons with Experiment
Roy TK, Carrington T, Gerber RB
Journal of Physical Chemistry A, 118(33), 6730, 2014 |
| 8 |
Using a Nondirect Product Basis to Compute J > 0 Rovibrational States of H-3(+)
Jaquet R, Carrington T
Journal of Physical Chemistry A, 117(39), 9493, 2013 |
| 9 |
Computing polarizabilities without a Hamiltonian matrix
Wlotzka A, Carrington T
Chemical Physics Letters, 524, 96, 2012 |
| 10 |
On the advantages of a rectangular matrix collocation equation for computing vibrational spectra from small basis sets
Manzhos S, Yamashita K, Carrington T
Chemical Physics Letters, 511(4-6), 434, 2011 |
