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Browsing by Subject "Hamiltonian matrix elements"
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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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Bubin, Sergiy; Adamowicz, Ludwik
(2006)
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of ...