O Krogh Andersen
Abstract:
Two approximate methods for solving the band-structure problem in an efficient
and physically transparent way are presented and discussed in detail.
The variational principle for the one-electron Hamiltonian is used in both
schemes, and the trial functions are linear combinations of energy-independent
augmented plane waves (APW) and muffin-tin orbitals (MTO), respectively.
The secular equations are therefore eigenvalue equations, linear in energy.
The trial functions are defined with respect to a muffin-tin (MT) potential
and the ...
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