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

Library Home Bookshelves View by Type Using Search

Books Catalogs/Sales Lists Journals Reports Thesis/Dissertation

Search for Books Search for Journals Manage Subjects Statistics Books without DDC/LCC Top Unstructured Orphaned Articles

Bookshelves (DDC layout)Bookshelves (LCC layout)Latest Books

Advanced

Search inside 'Molecular Physics' only

- Only viewable:

Reference Type	Journal (article/letter/editorial)
Title	Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions
Journal	Molecular Physics
Authors	Leclerc, Arnaud		Author
	Thomas, Phillip S.		Author
	Carrington, Tucker		Author
Year	2017 (August 18)	Volume	115
Publisher	Informa UK Limited
DOI	doi:10.1080/00268976.2016.1249980Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	5982337	Long-form Identifier	mindat:1:5:5982337:9
GUID	0
Full Reference	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
Plain Text	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
In	(n.d.) Molecular Physics Vol. 115. Informa UK Limited

	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
	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
	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
	Thomas, Phillip S., Carrington, Tucker, Agarwal, Jay, Schaefer, Henry F. (2018) Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene. The Journal of Chemical Physics, 149 (6). 64108pp. doi:10.1063/1.5039147
	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
	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
	Simmons, Jesse, Carrington Jr., Tucker (2021) Using collocation and solutions for a sum-of-product potential to compute vibrational energy levels for general potentials. Chemical Physics Letters, 781. 138967pp. doi:10.1016/j.cplett.2021.138967
	Manzhos, Sergei, Wang, Xiaogang, Carrington, Tucker (2018) A multimode-like scheme for selecting the centers of Gaussian basis functions when computing vibrational spectra. Chemical Physics, 509. 139-144 doi:10.1016/j.chemphys.2017.10.006
	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
	Wang, Xiao-Gang, Carrington, Tucker (2021) Using nondirect product Wigner D basis functions and the symmetry-adapted Lanczos algorithm to compute the ro-vibrational spectrum of CH₄–H₂O. The Journal of Chemical Physics, 154 (12) 124112pp. doi:10.1063/5.0044010

Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 18, 2025 15:29:14

Go to top of page

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

See Also