Discrete-variable representations and their utilization JC Light, T Carrington Advances in Chemical Physics 114, 263-310, 2007 | 930 | 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 | 432 | 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 | 417 | 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 | 376 | 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 | 293 | 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 | 247 | 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 | 228 | 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 | 200 | 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 | 199 | 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 | 183 | 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 | 176 | 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 |

Vibrational energy levels of XG Wang, T Carrington Jr The Journal of chemical physics 129 (23), 234102, 2008 | 156 | 2008 |

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 | 156 | 2002 |

The structure of Nb_{3}O and Nb_{3}O^{+} determined by pulsed field ionization–zero electron kinetic energy photoelectron spectroscopy and density functional theoryDS Yang, MZ Zgierski, DM Rayner, PA Hackett, A Martinez, DR Salahub, ... The Journal of chemical physics 103 (13), 5335-5342, 1995 | 154 | 1995 |

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 | 152 | 2018 |

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 |