137 citations · 885 across the 28 of their papers we have counts for
Showing 2009Show all
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cond-mat.mtrl-sci2009★ 96 cited
Resonating valence bond wave function with molecular orbitals: Application to first-row molecules
M. Marchi, S. Azadi, M. Casula +1
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into single…
cond-mat.other2009
A consistent description of the iron dimer spectrum with a correlated single-determinant wave function
Michele Casula, Mariapia Marchi, Sam Azadi +1
We study the iron dimer by using an accurate ansatz for quantum chemical calculations based on a simple variational wave function, defined by a single geminal expanded in molecular…