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A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components
Salvador Sedano, Pedro; Duran i Portas, Miquel; Fradera i Llinàs, Xavier
2011-03-25
-Anàlisi d'error (Matemàtica)
-Enllaços d'hidrogen
-Funcional de densitat, Teoria del
-Sistemes hamiltonians
-Density functionals
-Error analysis (Mathematics)
-Hamiltonian systems
-Hydrogen bonding
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Article
American Institute of Physics
         

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