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Leclerc, Arnaud, Carrington, Tucker (2014) Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices. The Journal of Chemical Physics, 140 (17). 174111pp. doi:10.1063/1.4871981

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Reference TypeJournal (article/letter/editorial)
TitleCalculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices
JournalThe Journal of Chemical Physics
AuthorsLeclerc, ArnaudAuthor
Carrington, TuckerAuthor
Year2014 (May 7)Volume140
Issue17
PublisherAIP Publishing
DOIdoi:10.1063/1.4871981Search in ResearchGate
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Mindat Ref. ID2367769Long-form Identifiermindat:1:5:2367769:2
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Full ReferenceLeclerc, Arnaud, Carrington, Tucker (2014) Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices. The Journal of Chemical Physics, 140 (17). 174111pp. doi:10.1063/1.4871981
Plain TextLeclerc, Arnaud, Carrington, Tucker (2014) Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices. The Journal of Chemical Physics, 140 (17). 174111pp. doi:10.1063/1.4871981
In(2014, May) The Journal of Chemical Physics Vol. 140 (17) AIP Publishing

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Leclerc, Arnaud, Thomas, Phillip S., Carrington, Tucker (2017) Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions. Molecular Physics, 115. 1740-1749 doi:10.1080/00268976.2016.1249980
Leclerc, Arnaud, Carrington, Tucker (2016) Using symmetry-adapted optimized sum-of-products basis functions to calculate vibrational spectra. Chemical Physics Letters, 644. 183-188 doi:10.1016/j.cplett.2015.11.057
Charron, Guy, Carrington, Tucker (1993) A Fourier-Lanczos method for calculating energy levels without storing or calculating matrices. Molecular Physics, 79. 13-23 doi:10.1080/00268979300101041
Thomas, Phillip S., Carrington, Tucker (2017) An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms. The Journal of Chemical Physics, 146 (20). 204110pp. doi:10.1063/1.4983695
Wang, Xiao-Gang, Carrington, Tucker (2002) New ideas for using contracted basis functions with a Lanczos eigensolver for computing vibrational spectra of molecules with four or more atoms. The Journal of Chemical Physics, 117 (15). 6923-6934 doi:10.1063/1.1506911
Simmons, Jesse, Carrington, Tucker (2023) Computing vibrational spectra using a new collocation method with a pruned basis and more points than basis functions: Avoiding quadrature. The Journal of Chemical Physics, 158 (14) 144115 doi:10.1063/5.0146703
Tremblay, Jean Christophe, Carrington, Tucker (2006) Calculating vibrational energies and wave functions of vinylidene using a contracted basis with a locally reorthogonalized coupled two-term Lanczos eigensolver. The Journal of Chemical Physics, 125 (9). 94311pp. doi:10.1063/1.2234480
Rey, Michaël, Carrington, Tucker (2024) Using nested tensor train contracted basis functions with group theoretical techniques to compute (ro)-vibrational spectra of molecules with non-Abelian groups. The Journal of Chemical Physics, 161 (4) doi:10.1063/5.0219434
Bramley, Matthew J., Carrington, Tucker (1994) Calculation of triatomic vibrational eigenstates: Product or contracted basis sets, Lanczos or conventional eigensolvers? What is the most efficient combination?. The Journal of Chemical Physics, 101 (10). 8494-8507 doi:10.1063/1.468110
Brown, James, Carrington, Tucker (2015) Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions. The Journal of Chemical Physics, 143 (4). 44104pp. doi:10.1063/1.4926805
Wang, Xiao-Gang, Carrington, Tucker (2017) Using monomer vibrational wavefunctions as contracted basis functions to compute rovibrational levels of an H2O-atom complex in full dimensionality. The Journal of Chemical Physics, 146 (10). 104105pp. doi:10.1063/1.4977179
 
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