Projected hopping matrix element and sign convention

ID: projected-hopping-matrix-element-and-sign-convention

If a tight-binding Hamiltonian is written with coefficient multiplying , projecting the one-electron Hamiltonian gives the displayed relation. An alternative convention defines the coefficient itself as the hopping integral and has no leading minus. Orthogonality removes constant scalar potentials from off-diagonal matrix elements, but does not remove a spatially varying potential. Orbital rephasing changes both matrix elements together and cannot repair an algebraic mismatch between these two conventions in a fixed basis.

New to topics? Read the docs here!