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koopmans: an open-source package for accurately and efficiently predicting sp...
Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional... -
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their... -
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their... -
Koopmans spectral functionals: an open-source periodic-boundary implementation
Koopmans' spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is... -
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their... -
Koopmans spectral functionals: an open-source periodic-boundary implementation
Koopmans' spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is...
