Discrete-variable representations and their utilization JC Light, T Carrington
Advances in Chemical Physics 114, 263-310, 2007
940 2007 Variational quantum approaches for computing vibrational energies of polyatomic molecules JM Bowman, T Carrington, HD Meyer
Molecular Physics 106 (16-18), 2145-2182, 2008
438 2008 Encyclopedia of computational chemistry P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
428 1998 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
421 1993 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
380 1992 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
294 1986 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
274 1988 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
252 2006 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
230 1994 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
202 2003 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
200 1984 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
188 2006 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
178 2006 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
175 2015 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
170 1984 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
159 2002 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
158 2018 Vibrational energy levels of XG Wang, T Carrington Jr
The Journal of chemical physics 129 (23), 234102, 2008
157 2008 The structure of Nb3 O and Nb3 O+ 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
154 1995 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
143 2002 