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 | 215 | 2003 |
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 | 214 | 2006 |
Vibrational energy levels of CH5+ XG Wang, T Carrington Jr The Journal of chemical physics 129 (23), 234102, 2008 | 166 | 2008 |
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 | 159 | 2002 |
Methane line parameters in the HITRAN2012 database LR Brown, K Sung, DC Benner, VM Devi, V Boudon, T Gabard, C Wenger, ... Journal of Quantitative Spectroscopy and Radiative Transfer 130, 201-219, 2013 | 147 | 2013 |
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 | 140 | 2004 |
A symmetry-adapted Lanczos method for calculating energy levels with different symmetries from a single set of iterations XG Wang, T Carrington Jr The Journal of Chemical Physics 114 (4), 1473-1477, 2001 | 121 | 2001 |
A nine-dimensional perturbative treatment of the vibrations of methane and its isotopomers XG Wang, EL Sibert III The Journal of chemical physics 111 (10), 4510-4522, 1999 | 119 | 1999 |
Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer R Dawes, XG Wang, AW Jasper, T Carrington Jr The Journal of chemical physics 133 (13), 134304, 2010 | 112 | 2010 |
A finite basis representation Lanczos calculation of the bend energy levels of methane XG Wang, T Carrington Jr The Journal of chemical physics 118 (15), 6946-6956, 2003 | 106 | 2003 |
Six-dimensional variational calculation of the bending energy levels of HF trimer and DF trimer XG Wang, T Carrington Jr The Journal of Chemical Physics 115 (21), 9781-9796, 2001 | 88 | 2001 |
Computing rovibrational levels of methane with curvilinear internal vibrational coordinates and an Eckart frame XG Wang, T Carrington Jr The Journal of chemical physics 138 (10), 104106, 2013 | 83 | 2013 |
Theoretical and experimental studies of the infrared rovibrational spectrum of He2-N2O. XG Wang, T Carrington Jr, J Tang, AR McKellar The Journal of chemical physics 123 (3), 34301-34301, 2005 | 83 | 2005 |
CO Dimer: New Potential Energy Surface and Rovibrational Calculations R Dawes, XG Wang, T Carrington Jr The Journal of Physical Chemistry A 117 (32), 7612-7630, 2013 | 80 | 2013 |
Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer XG Wang, T Carrington Jr The Journal of chemical physics 148 (7), 074108, 2018 | 73 | 2018 |
Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations M Majumder, SE Hegger, R Dawes, S Manzhos, XG Wang, C Tucker Jr, ... Molecular Physics 113 (13-14), 1823-1833, 2015 | 72 | 2015 |
Anharmonic force field and vibrational frequencies of tetrafluoromethane (CF4) and tetrafluorosilane (SiF4) XG Wang, EL Sibert III, JML Martin The Journal of Chemical Physics 112 (3), 1353-1366, 2000 | 71 | 2000 |
Using experimental data and a contracted basis Lanczos method to determine an accurate methane potential energy surface from a least squares optimization XG Wang, T Carrington The Journal of chemical physics 141 (15), 2014 | 70 | 2014 |
High resolution spectroscopic study of arsine: 3ν1 and 2ν1+ ν3 dyad: the tendency of symmetry reduction ON Ulenikov, F Sun, X Wang, Q Zhu The Journal of chemical physics 105 (17), 7310-7315, 1996 | 70 | 1996 |
The utility of constraining basis function indices when using the lanczos algorithm to calculate vibrational energy levels XG Wang, T Carrington The Journal of Physical Chemistry A 105 (12), 2575-2581, 2001 | 66 | 2001 |