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Browsing Articles publicats (D-Q) by Subject
Browsing Articles publicats (D-Q) by Subject "Hamiltonian systems"
Now showing items 1-5 of 5
Effect of basis set superposition error on the electron density of molecular complexes
2000
Article
Salvador Sedano, Pedro
Fradera i Llinàs, Xavier
Duran i Portas, Miquel
A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components
2002
Article
Salvador Sedano, Pedro
Duran i Portas, Miquel
Fradera i Llinàs, Xavier
Second-order Møller-Plesset perturbation theory without basis set superposition error: II: open-shell systems
2004
Article
Salvador Sedano, Pedro
Mayer, István
Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects
2005
Article
Voityuk, Alexander A.
A basis set superposition error-free second-order perturbation theory from Hermitian chemical Hamiltonian approach self-consistent field canonic orbitals
2022-04-15
Article
Salvador Sedano, Pedro
Mayer, István
Now showing items 1-5 of 5
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