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Excited-state forces with the Gaussian and augmented plane wave method for th...
Augmented plane wave methods enable an efficient description of atom-centered or localized features of the electronic density, circumventing high energy cutoffs and thus... -
Interpretations of ground-state symmetry breaking and strong correlation in w...
Strong correlations within a symmetry-unbroken ground-state wavefunction can show up in approximate density functional theory as symmetry-broken spin-densities or total... -
Interpretations of ground-state symmetry breaking and strong correlation in w...
Strong correlations within a symmetry-unbroken ground-state wavefunction can show up in approximate density functional theory as symmetry-broken spin-densities or total... -
Interpretations of ground-state symmetry breaking and strong correlation in w...
Strong correlations within a symmetry-unbroken ground-state wavefunction can show up in approximate density functional theory as symmetry-broken spin-densities or total...