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Просмотр Physics по автору "Pavanello, Michele"
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Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy; Adamowicz, Ludwik
(2009)
A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated
Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron
have ...
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Pavanello, Michele; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik
(2005)
Very accurate calculations of the pure vibrational spectrum of the HeH+ ion are reported. The
method used does not assume the Born–Oppenheimer approximation, and the motion of both the
electrons and the nuclei are treated ...