T Carrington
T Carrington
Verified email at queensu.ca
TitleCited byYear
Encyclopedia of computational chemistry
P von Ragué Schleyer
12131998
Discrete-variable representations and their utilization
JC Light, T Carrington Jr
Advances in Chemical Physics 114, 263-310, 2000
7642000
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
3791993
Variational quantum approaches for computing vibrational energies of polyatomic molecules
JM Bowman, T Carrington, HD Meyer
Molecular Physics 106 (16-18), 2145-2182, 2008
3372008
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
3291992
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
2791986
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
2441988
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
2111994
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
1901984
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
1822006
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
1812003
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
1511984
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
1472006
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
1461995
Vibrational energy levels of
XG Wang, T Carrington Jr
The Journal of chemical physics 129 (23), 234102, 2008
1352008
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
1332006
Calculation of triatomic vibrational eigenstates: Product or contracted basis sets, Lanczos or conventional eigensolvers? What is the most efficient combination?
MJ Bramley, T Carrington Jr
The Journal of chemical physics 101 (10), 8494-8507, 1994
1281994
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
1272002
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
1232002
Contracted basis Lanczos methods for computing numerically exact rovibrational levels of methane
XG Wang, T Carrington Jr
The Journal of chemical physics 121 (7), 2937-2954, 2004
1222004
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