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T Carrington
T Carrington
Verified email at queensu.ca
Title
Cited by
Cited by
Year
Discrete-variable representations and their utilization
JC Light, T Carrington
Advances in Chemical Physics 114, 263-310, 2007
9302007
Variational quantum approaches for computing vibrational energies of polyatomic molecules
JM Bowman, T Carrington, HD Meyer
Molecular Physics 106 (16-18), 2145-2182, 2008
4322008
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
4281998
A general discrete variable method to calculate vibrational energy levels of three‐and four‐atom molecules
MJ Bramley, T Carrington Jr
The Journal of chemical physics 99 (11), 8519-8541, 1993
4171993
The discrete variable representation of a triatomic Hamiltonian in bond length–bond angle coordinates
H Wei, T Carrington Jr
The Journal of chemical physics 97 (5), 3029-3037, 1992
3761992
Reaction surface description of intramolecular hydrogen atom transfer in malonaldehyde
T Carrington Jr, WH Miller
The Journal of chemical physics 84 (8), 4364-4370, 1986
2931986
Fermi resonances and local modes in water, hydrogen sulfide, and hydrogen selenide
L Halonen, T Carrington Jr
The Journal of chemical physics 88 (7), 4171-4185, 1988
2741988
A random-sampling high dimensional model representation neural network for building potential energy surfaces
S Manzhos, T Carrington Jr
The Journal of chemical physics 125 (8), 084109, 2006
2472006
Efficient calculation of highly excited vibrational energy levels of floppy molecules: The band origins of H+3 up to 35 000 cm−1
MJ Bramley, JW Tromp, T Carrington Jr, GC Corey
The Journal of chemical physics 100 (9), 6175-6194, 1994
2281994
A contracted basis-Lanczos calculation of vibrational levels of methane: Solving the Schrödinger equation in nine dimensions
XG Wang, T Carrington Jr
The Journal of chemical physics 119 (1), 101-117, 2003
2002003
Vinylidene: Potential energy surface and unimolecular reaction dynamics
T Carrington Jr, LM Hubbard, HF Schaefer III, WH Miller
The Journal of chemical physics 80 (9), 4347-4354, 1984
1991984
A nested molecule-independent neural network approach for high-quality potential fits
S Manzhos, X Wang, R Dawes, T Carrington
The Journal of Physical Chemistry A 110 (16), 5295-5304, 2006
1832006
Using neural networks to represent potential surfaces as sums of products
S Manzhos, T Carrington Jr
The Journal of chemical physics 125 (19), 194105, 2006
1762006
Neural network‐based approaches for building high dimensional and quantum dynamics‐friendly potential energy surfaces
Sergei Manzhos, Richard Dawes, Tucker Carrington
International Journal of Quantum Chemistry 115 (16), 1012-1020, 2015
1752015
Reaction surface Hamiltonian for the dynamics of reactions in polyatomic systems
T Carrington Jr, WH Miller
The Journal of chemical physics 81 (9), 3942-3950, 1984
1701984
Vibrational energy levels of
XG Wang, T Carrington Jr
The Journal of chemical physics 129 (23), 234102, 2008
1562008
A general framework for discrete variable representation basis sets
RG Littlejohn, M Cargo, T Carrington Jr, KA Mitchell, B Poirier
The Journal of chemical physics 116 (20), 8691-8703, 2002
1562002
The structure of Nb3O and Nb3O+ determined by pulsed field ionization–zero electron kinetic energy photoelectron spectroscopy and density functional theory
DS Yang, MZ Zgierski, DM Rayner, PA Hackett, A Martinez, DR Salahub, ...
The Journal of chemical physics 103 (13), 5335-5342, 1995
1541995
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy
A Kamath, RA Vargas-Hernández, RV Krems, T Carrington Jr, S Manzhos
The Journal of chemical physics 148 (24), 241702, 2018
1522018
New ideas for using contracted basis functions with a Lanczos eigensolver for computing vibrational spectra of molecules with four or more atoms
XG Wang, T Carrington Jr
The Journal of chemical physics 117 (15), 6923-6934, 2002
1432002
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