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Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)
C. S. Wang
*
, A. J. Freeman
*
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Physics and Astronomy
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Engineering & Materials Science
Electronic structure
Charge density
Thin films
Crystals
Transition metals
Wave functions
Hamiltonians
Atoms
Electrons
Sampling
Chemical Compounds
Electronic structure
Charge density
Thin films
Crystals
Transition metals
Wave functions
Hamiltonians
Atoms
Electrons
Sampling
Physics & Astronomy
electronic structure
orbitals
thin films
Coulomb potential
tetrahedrons
Brillouin zones
triangles
iteration
crystals
transition metals
sampling
wave functions