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Somayeh added ERKALE_is_a_quantum_chemistry__.tex
over 8 years ago
Commit id: 7f72baf0b00597b959cc09a87afb44794d7717c3
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ERKALE is a quantum chemistry code capable of solving the electronic structure of atoms, molecules and molecular clusters. ERKALE was designed to compute the x-ray properties, such as ground-state electron momentum densities and Compton profiles, and core (x-ray absorption and x-ray Raman scattering) and valence electron excitation spectra of atoms and molecules \cite{Lehtola_2012}.