Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions-Reference-Cited by-同舟云学术

Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

Published:2016-11-11 Issue:15-16 Volume:115 Page:1740-1749
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Leclerc Arnaud¹,Thomas Phillip S.²,Carrington Tucker²^ORCID

Affiliation:

1. Université de Lorraine , UMR CNRS 7565 SRSMC, Metz, France

2. Chemistry Department, Queen's University , Kingston, Ontario, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2016.1249980

Reference44 articles.

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4. B. Liu , The simultaneous expansion for the solution of several of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices, Numerical Algorithms in Chemistry: Algebraic Method . (Lawrence Berkeley Laboratory, University of California, California, 1978), pp. 49–53.

5. A Jacobi-Wilson description coupled to a block-Davidson algorithm: An efficient scheme to calculate highly excited vibrational levels

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