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Xiao-Gang Wang
Xiao-Gang Wang
Chemistry Department, Queen's University
Verified email at queensu.ca - Homepage
Title
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Cited by
Year
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
2132006
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
2122003
Vibrational energy levels of CH5+
XG Wang, T Carrington Jr
The Journal of chemical physics 129 (23), 234102, 2008
1632008
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
1582002
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
1432013
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
1392004
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
1212001
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
1181999
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
1122010
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
1052003
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
872001
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
822013
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
822005
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
772013
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
702015
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
702000
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
701996
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
692018
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
682014
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
662001
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Articles 1–20