Imagen de Portada

Revisiting density-functional theory of the total current density

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Laestadius, Andre, Penz, Markus, Tellgren, Erik I.
Formato:	Preprint
Publicado:	2020
Materias:	Chemical Physics Materials Science
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

The structure of the density-potential mapping. Part I: Standard density-functional theory
por: Penz, Markus, et al.
Publicado: (2022)

The structure of the density-potential mapping. Part II: Including magnetic fields
por: Penz, Markus, et al.
Publicado: (2023)

Perspective on Moreau-Yosida Regularization in Density-Functional Theory
por: Penz, Markus, et al.
Publicado: (2025)

Convergence of the regularized Kohn-Sham iteration in Banach spaces
por: Penz, Markus, et al.
Publicado: (2020)

Regularised density-potential inversion for periodic systems: application to exact exchange in one dimension
por: Bohle, Oliver M., et al.
Publicado: (2025)

Exchange energies with forces in density-functional theory
por: Tancogne-Dejean, Nicolas, et al.
Publicado: (2022)

Geometrical Perspective on Spin-Lattice Density-Functional Theory
por: Penz, Markus, et al.
Publicado: (2024)

Constrained Search in Imaginary Time
por: Penz, Markus, et al.
Publicado: (2025)

Real-space Hubbard-corrected density functional theory
por: Bhowmik, Sayan, et al.
Publicado: (2025)

Foundations of the ionization potential condition for localized electron removal in density functional theory
por: Ohad, Guy, et al.
Publicado: (2025)

Spin migration in density functional theory: energy, potential and density perspectives
por: Hayman, Alon, et al.
Publicado: (2024)

Interaction between water and carbon nanostructures: How good are current density functional approximations?
por: Brandenburg, Jan Gerit, et al.
Publicado: (2019)

Thermodynamic limit for the magnetic uniform electron gas and representability of density-current pairs
por: Csirik, Mihály A., et al.
Publicado: (2024)

Bridging electronic and classical density-functional theory using universal machine-learned functional approximations
por: Kelley, Michelle M., et al.
Publicado: (2024)

Machine learning the derivative discontinuity of density-functional theory
por: Gedeon, Johannes, et al.
Publicado: (2021)

Adsorption of molecular hydrogen on honeycomb ZnO monolayers: A quantum density-functional theory perspective
por: Martinez-Mesa, Aliezer, et al.
Publicado: (2024)

Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation
por: Vijay, Sudarshan, et al.
Publicado: (2025)

Towards an understanding of magnesium in a biological environment: A density functional theory study
por: Naurin, Miranda, et al.
Publicado: (2026)

Cyclic- and helical-symmetry-adapted phonon formalism within density functional perturbation theory
por: Sharma, Abhiraj, et al.
Publicado: (2026)

Geometric theory of constrained Schrödinger dynamics with application to time-dependent density-functional theory on a finite lattice
por: Cancès, Eric, et al.
Publicado: (2026)

Efficient plane-wave approach to generalized Kohn-Sham density-functional theory of solids with mixed deterministic/stochastic exchange
por: Allen, Tucker, et al.
Publicado: (2025)

Towards chemical accuracy for chemi- and physisorption with an efficient density functional
por: Kothakonda, Manish, et al.
Publicado: (2024)

Towards superior van der Waals density functionals for molecular crystals
por: Fedorov, Dmitry V., et al.
Publicado: (2025)

Rationalizing defect formation energies in metals and semiconductors with semilocal density functionals
por: Bazantes, Jorge Vega, et al.
Publicado: (2026)

Current density functional framework for spin-orbit coupling: Extension to periodic systems
por: Franzke, Yannick J., et al.
Publicado: (2024)

Efficient real space formalism for hybrid density functionals
por: Jing, Xin, et al.
Publicado: (2024)

Practical and accurate density functionals for transition-metal heterogeneous catalysis
por: Shi, Benjamin X., et al.
Publicado: (2026)

Grad DFT: a software library for machine learning enhanced density functional theory
por: Casares, Pablo A. M., et al.
Publicado: (2023)

olLOSC: Unified and efficient density functional approximation to correct delocalization error in molecules and periodic materials
por: Fan, Yichen, et al.
Publicado: (2026)

Can machines learn density functionals? Past, present, and future of ML in DFT
por: Akashi, Ryosuke, et al.
Publicado: (2025)

Topological descriptors for the electron density of inorganic solids
por: Szymanski, Nathan J., et al.
Publicado: (2025)

Temperature- and charge carrier density-dependent electronic response in methylammonium lead iodide
por: Park, Jiacheng Wang Jungmin, et al.
Publicado: (2025)

A universal machine learning model for the electronic density of states
por: How, Wei Bin, et al.
Publicado: (2025)

Local-density correlation functional from the force-balance equation
por: Tancogne-Dejean, Nicolas, et al.
Publicado: (2025)

A quantitative Hohenberg-Kohn theorem and the unexpected regularity of density functional theory in one spatial dimension
por: Corso, Thiago Carvalho, et al.
Publicado: (2025)

Time-dependent density-functional study of hydrogen adsorption and scattering on graphene surfaces
por: Taylor, Samuel S., et al.
Publicado: (2024)

Adaptive energy reference for machine-learning models of the electronic density of states
por: How, Wei Bin, et al.
Publicado: (2024)

Electron-Photon Exchange-Correlation Approximation for QEDFT
por: Lu, I-Te, et al.
Publicado: (2024)

Non-linear and non-empirical double hybrid density functional
por: Khan, Danish
Publicado: (2025)

opt-DDAP: Optimisable density-derived atomic point charges via automatic differentiation
por: H., Mohith, et al.
Publicado: (2026)