2 papers
math-ph2025
A highly accurate procedure for computing globally optimal Wannier functions in one-dimensional crystalline insulators
Abinand Gopal, Hanwen Zhang
A standard task in solid state physics and quantum chemistry is the computation of localized molecular orbitals known as Wannier functions. In this manuscript, we propose a new pro…
math-ph2025
Constructing optimal Wannier functions via potential theory: isolated single band for matrix models
Hanwen Zhang
We present a rapidly convergent scheme for computing globally optimal Wannier functions of isolated single bands for matrix models in two dimensions. The scheme proceeds first by c…