Using an expanding nondirect product harmonic basis with an iterative eigensolver to compute vibrational energy levels with as many as seven atoms
Author(s) -
James Brown,
Tucker Carrington
Publication year - 2016
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4963916
Subject(s) - basis (linear algebra) , basis function , product (mathematics) , convergence (economics) , molecule , pruning , atom (system on chip) , computational chemistry , matrix (chemical analysis) , ethylene , ethylene oxide , mathematics , materials science , chemistry , physics , computer science , quantum mechanics , mathematical analysis , geometry , nuclear magnetic resonance , organic chemistry , economic growth , biology , embedded system , polymer , economics , agronomy , catalysis , copolymer , composite material
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