Research paperTheoreticalComputational MultiscaleShaping Maximally Localized Wannier Functions via Discrete Adiabatic TransportYuji Hamai, Katsunori WakabayashiarXiv·2026·10.7566/JPSJ.95.074704·arXiv:2605.14414AbstractWe present a non-variational constructive algorithm for maximally localized Wannier functions that unifies gauge smoothing with the projected position operator eigenvalue problem. Discrete adiabatic transport across band degeneracies emerges naturally in the solution procedure, enabling deterministic fixed-point iterations for Wannier centers and self-consistent updates rather than spread-functional minimization. Benchmark calculations for one- and two-dimensional systems show agreement with standard minimization schemes, and an analysis for graphene explains the O(L) mesh-dependent spread scaling as an intrinsic geometric consequence of non-commuting projected position operators.Read more
Graphene system used as the 2D benchmark for analyzing mesh-dependent Wannier spread scaling and gauge defects.No measurements recordedSimulatedCStudied MaterialExpand
Generic one-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric one-dimensional systemStudied MaterialExpand
Generic two-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric two-dimensional systemStudied MaterialExpand
Research paperTheoreticalComputational MultiscaleShaping Maximally Localized Wannier Functions via Discrete Adiabatic TransportYuji Hamai, Katsunori WakabayashiarXiv·2026·10.7566/JPSJ.95.074704·arXiv:2605.14414AbstractWe present a non-variational constructive algorithm for maximally localized Wannier functions that unifies gauge smoothing with the projected position operator eigenvalue problem. Discrete adiabatic transport across band degeneracies emerges naturally in the solution procedure, enabling deterministic fixed-point iterations for Wannier centers and self-consistent updates rather than spread-functional minimization. Benchmark calculations for one- and two-dimensional systems show agreement with standard minimization schemes, and an analysis for graphene explains the O(L) mesh-dependent spread scaling as an intrinsic geometric consequence of non-commuting projected position operators.Read more
Graphene system used as the 2D benchmark for analyzing mesh-dependent Wannier spread scaling and gauge defects.No measurements recordedSimulatedCStudied MaterialExpand
Generic one-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric one-dimensional systemStudied MaterialExpand
Generic two-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric two-dimensional systemStudied MaterialExpand
Research paperTheoreticalComputational MultiscaleShaping Maximally Localized Wannier Functions via Discrete Adiabatic TransportYuji Hamai, Katsunori WakabayashiarXiv·2026·10.7566/JPSJ.95.074704·arXiv:2605.14414AbstractWe present a non-variational constructive algorithm for maximally localized Wannier functions that unifies gauge smoothing with the projected position operator eigenvalue problem. Discrete adiabatic transport across band degeneracies emerges naturally in the solution procedure, enabling deterministic fixed-point iterations for Wannier centers and self-consistent updates rather than spread-functional minimization. Benchmark calculations for one- and two-dimensional systems show agreement with standard minimization schemes, and an analysis for graphene explains the O(L) mesh-dependent spread scaling as an intrinsic geometric consequence of non-commuting projected position operators.Read more
Graphene system used as the 2D benchmark for analyzing mesh-dependent Wannier spread scaling and gauge defects.No measurements recordedSimulatedCStudied MaterialExpand
Generic one-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric one-dimensional systemStudied MaterialExpand
Generic two-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric two-dimensional systemStudied MaterialExpand
Research paperTheoreticalComputational MultiscaleShaping Maximally Localized Wannier Functions via Discrete Adiabatic TransportYuji Hamai, Katsunori WakabayashiarXiv·2026·10.7566/JPSJ.95.074704·arXiv:2605.14414AbstractWe present a non-variational constructive algorithm for maximally localized Wannier functions that unifies gauge smoothing with the projected position operator eigenvalue problem. Discrete adiabatic transport across band degeneracies emerges naturally in the solution procedure, enabling deterministic fixed-point iterations for Wannier centers and self-consistent updates rather than spread-functional minimization. Benchmark calculations for one- and two-dimensional systems show agreement with standard minimization schemes, and an analysis for graphene explains the O(L) mesh-dependent spread scaling as an intrinsic geometric consequence of non-commuting projected position operators.Read more
Graphene system used as the 2D benchmark for analyzing mesh-dependent Wannier spread scaling and gauge defects.No measurements recordedSimulatedCStudied MaterialExpand
Generic one-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric one-dimensional systemStudied MaterialExpand
Generic two-dimensional benchmark system used to test the constructive Wannier-function algorithm.No measurements recordedSimulatedgeneric two-dimensional systemStudied MaterialExpand
