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Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids

Research areaChemistry and Materials Science and Technology
TitleBasis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
Publication TypeJournal Article
Publication year2010
AuthorsVila, FD, Strubbe, DA, Takimoto, Y, Andrade, X, Rubio, A, Louie, SG, Rehr, JJ
JournalJournal of Chemical Physics
Volume133
Number3
DOI10.1063/1.3457362