Wannier Functions Dually Localized in Space and Energy
Fuente:
arXiv
Guardado en:
| Autores principales: | Mahler, Aaron, Williams, Jacob Z., Su, Neil Qiang, Yang, Weitao |
|---|---|
| Formato: | Preprint |
| Publicado: |
2022
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening
por: Williams, Jacob Z., et al.
Publicado: (2024)
por: Williams, Jacob Z., et al.
Publicado: (2024)
olLOSC: Unified and efficient density functional approximation to correct delocalization error in molecules and periodic materials
por: Fan, Yichen, et al.
Publicado: (2026)
por: Fan, Yichen, et al.
Publicado: (2026)
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition
por: Tao, Zui, et al.
Publicado: (2025)
por: Tao, Zui, et al.
Publicado: (2025)
Shaping Maximally Localized Wannier Functions via Discrete Adiabatic Transport
por: Hamai, Yuji, et al.
Publicado: (2026)
por: Hamai, Yuji, et al.
Publicado: (2026)
Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions
por: Ritz, Ethan T., et al.
Publicado: (2025)
por: Ritz, Ethan T., et al.
Publicado: (2025)
Automatic Generation of Maximally Localized Wannier Functions via Optimized Projection Functions and Self-projections
por: Tillack, Sebastian, et al.
Publicado: (2025)
por: Tillack, Sebastian, et al.
Publicado: (2025)
Optimally Localized Wannier Functions for 2D Chern Insulators
por: Gunawardana, Thivan M., et al.
Publicado: (2023)
por: Gunawardana, Thivan M., et al.
Publicado: (2023)
Symmetry Conserving Maximally Projected Wannier Functions
por: Koepernik, K., et al.
Publicado: (2021)
por: Koepernik, K., et al.
Publicado: (2021)
Automated Workflow for Non-Empirical Wannier-Localized Optimal Tuning of Range-Separated Hybrid Functionals
por: Gant, Stephen E., et al.
Publicado: (2025)
por: Gant, Stephen E., et al.
Publicado: (2025)
The Wannier Function Software Ecosystem for Materials Simulations
por: Marrazzo, Antimo, et al.
Publicado: (2023)
por: Marrazzo, Antimo, et al.
Publicado: (2023)
Database of Tensorial Optical and Transport Properties of Materials From the Wannier Function Method
por: Fang, Zhenyao, et al.
Publicado: (2025)
por: Fang, Zhenyao, et al.
Publicado: (2025)
Fast Generation of Pipek-Mezey Wannier Functions via the Co-Iterative Augmented Hessian Method
por: Yang, Gengzhi, et al.
Publicado: (2026)
por: Yang, Gengzhi, et al.
Publicado: (2026)
Compact Wannier Functions in One Dimension
por: Sathe, Pratik, et al.
Publicado: (2023)
por: Sathe, Pratik, et al.
Publicado: (2023)
Optical spatial dispersion via Wannier interpolation
por: Urru, Andrea, et al.
Publicado: (2025)
por: Urru, Andrea, et al.
Publicado: (2025)
Electronic and Optical Excitations in van der Waals Materials from a Non-Empirical Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Functional
por: Camarasa-Gómez, María, et al.
Publicado: (2024)
por: Camarasa-Gómez, María, et al.
Publicado: (2024)
Spin-Dependent Nonorthogonal Generalized Wannier Functions and their Integration with PAW and Hubbard Corrections in Linear-Scaling DFT
por: Azor, Miguel Escobar, et al.
Publicado: (2025)
por: Azor, Miguel Escobar, et al.
Publicado: (2025)
Self-consistent evaluation of the Berry connection for Wannier functions
por: Thümmler, Martin, et al.
Publicado: (2026)
por: Thümmler, Martin, et al.
Publicado: (2026)
Resolving Contradictory Estimates of Band Gaps of Bulk PdSe$_2$: A Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Density Functional Theory Study
por: Florio, Fred, et al.
Publicado: (2025)
por: Florio, Fred, et al.
Publicado: (2025)
Vacuum Wannier Functions for First-Principles Scattering and Photoemission
por: Wu, Tyler, et al.
Publicado: (2026)
por: Wu, Tyler, et al.
Publicado: (2026)
Wannier decay and the Thouless conjecture
por: Becker, Simon, et al.
Publicado: (2025)
por: Becker, Simon, et al.
Publicado: (2025)
Supercell Wannier Functions and Emergent Kondo Lattices in Topological Bands
por: Monsen, Brandon, et al.
Publicado: (2024)
por: Monsen, Brandon, et al.
Publicado: (2024)
Meta-optimization of maximally-localized Wannier functions
por: Tiwari, Sabyasachi, et al.
Publicado: (2026)
por: Tiwari, Sabyasachi, et al.
Publicado: (2026)
Reduced Wannier representation for topological bands
por: Cole, Trey, et al.
Publicado: (2024)
por: Cole, Trey, et al.
Publicado: (2024)
Origin of trapped intralayer Wannier and charge-transfer excitons in moiré materials
por: Maity, Indrajit, et al.
Publicado: (2025)
por: Maity, Indrajit, et al.
Publicado: (2025)
Detecting the spread of valence band Wannier functions by optical sum rules
por: Cárdenas-Castillo, Luis F., et al.
Publicado: (2024)
por: Cárdenas-Castillo, Luis F., et al.
Publicado: (2024)
High-order and adaptive optical conductivity calculations using Wannier interpolation
por: Van Muñoz, Lorenzo, et al.
Publicado: (2024)
por: Van Muñoz, Lorenzo, et al.
Publicado: (2024)
Maximally Localized Wannier Orbitals, Interaction Models and Fractional Quantum Anomalous Hall Effect in Twisted Bilayer MoTe2
por: Xu, Cheng, et al.
Publicado: (2023)
por: Xu, Cheng, et al.
Publicado: (2023)
Robust Wannierization including magnetization and spin-orbit coupling via projectability disentanglement
por: Jiang, Yuhao, et al.
Publicado: (2025)
por: Jiang, Yuhao, et al.
Publicado: (2025)
Efficient calculation of magnetocrystalline anisotropy energy using symmetry-adapted Wannier functions
por: Saito, Hiroto, et al.
Publicado: (2024)
por: Saito, Hiroto, et al.
Publicado: (2024)
Efficient time dependent Wannier functions for ultrafast dynamics
por: Le, Cristian M., et al.
Publicado: (2024)
por: Le, Cristian M., et al.
Publicado: (2024)
Wannier function localisation using Bloch intrinsic atomic orbitals
por: Zhu, Andrew, et al.
Publicado: (2024)
por: Zhu, Andrew, et al.
Publicado: (2024)
On the calculation of crystal field parameters using Wannier functions
por: Scaramucci, Andrea, et al.
Publicado: (2014)
por: Scaramucci, Andrea, et al.
Publicado: (2014)
Ab initio calculations of longitudinal electrical conductivity using a Wannier-based coherent potential approximation
por: Namerikawa, Shota, et al.
Publicado: (2024)
por: Namerikawa, Shota, et al.
Publicado: (2024)
Wannier center spectroscopy to identify boundary-obstructed topological insulators
por: Ligthart, R. A. M., et al.
Publicado: (2024)
por: Ligthart, R. A. M., et al.
Publicado: (2024)
Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations
por: Li, Jiachen, et al.
Publicado: (2024)
por: Li, Jiachen, et al.
Publicado: (2024)
First-principles analysis of in-plane anomalous Hall effect using symmetry-adapted Wannier Hamiltonians and multipole decomposition
por: Saito, Hiroto, et al.
Publicado: (2026)
por: Saito, Hiroto, et al.
Publicado: (2026)
Electron-phonon physics at the exascale: A hybrid MPI-GPU-OpenMP framework for scalable Wannier interpolation
por: Kim, Tae Yun, et al.
Publicado: (2026)
por: Kim, Tae Yun, et al.
Publicado: (2026)
Direct determination of layer anomalous Hall conductivity using uniaxial Wannier functions
por: Morishima, Yume, et al.
Publicado: (2025)
por: Morishima, Yume, et al.
Publicado: (2025)
\textit{Ab initio} Wannier-representation-based calculations of photocurrent in semiconductors and metals
por: Xu, Junqing, et al.
Publicado: (2024)
por: Xu, Junqing, et al.
Publicado: (2024)
Wannier interpolation of reciprocal-space periodic and non-periodic matrix elements in the optimally smooth subspace
por: Volpato, Giulio, et al.
Publicado: (2024)
por: Volpato, Giulio, et al.
Publicado: (2024)
Ejemplares similares
-
Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening
por: Williams, Jacob Z., et al.
Publicado: (2024) -
olLOSC: Unified and efficient density functional approximation to correct delocalization error in molecules and periodic materials
por: Fan, Yichen, et al.
Publicado: (2026) -
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition
por: Tao, Zui, et al.
Publicado: (2025) -
Shaping Maximally Localized Wannier Functions via Discrete Adiabatic Transport
por: Hamai, Yuji, et al.
Publicado: (2026) -
Orbitally-Resolved Mechanical Properties of Solids from Maximally Localized Wannier Functions
por: Ritz, Ethan T., et al.
Publicado: (2025)