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Real-space implementation of nonlocal pseudopotentials for first-principles total-energy calculations.
1991
King-Smith, and Payne, and Lin
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King-Smith, and Payne, and Lin
First-principles calculations of spin-orbit splittings in solids using nonlocal separable pseudopotentials.
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Hydrogen in yttrium via first-principles total-energy calculations.
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First-principles total-energy calculations on Y and alpha -YH0.5.
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Energy-consistent pseudopotentials for quantum Monte Carlo calculations.
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First-principles linear muffin-tin orbital atomic-sphere approximation calculations in real space.
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First-principles real-space linear-muffin-tin-orbital calculations of 3d impurities in Cu.
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Nonlocal first-principles calculations in Cu-Au and other intermetallic alloys.
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