Cover Image

Systematic generation of electron models for Second-Principles Density Functional Theory Methods

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Carral-Sainz, Nayara, Fernández-Ruiz, Toraya, Íñiguez, Jorge, Junquera, Javier, Garcia-Fernandez, Pablo
Format:	Preprint
Published:	2025
Subjects:	Materials Science Other Condensed Matter
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Extension of Second-Principles Density Functional Theory into the time domain
by: Fernández-Ruiz, Toraya, et al.
Published: (2025)

Foundation for the ΔSCF Approach in Density Functional Theory
by: Yang, Weitao, et al.
Published: (2024)

Review of contact models used in Discrete Element Method (DEM)
by: Ganguli, S, et al.
Published: (2025)

Restoring the Point-and-Charge Gradient Expansion for the Strong Interaction Density Functionals
by: Constantin, L. A., et al.
Published: (2026)

On the Novel Superfluidity in the Second Layer of $^4$He on Graphite
by: Usami, Jun, et al.
Published: (2026)

Zitterbewegung velocity in semiclassical electron dynamics
by: Culcer, Dimitrie
Published: (2026)

Anomalies in the electronic stopping of slow antiprotons in LiF
by: Massillon-JL, Guerda, et al.
Published: (2025)

Driving electronic features of twisted bilayer zigzag-graphene nanoribbons
by: Vidarte, Kevin J. U., et al.
Published: (2025)

Partitioning of total charge in matter from geometric phases of electrons
by: Saha, Joyeta, et al.
Published: (2024)

Differential phase contrast from electrons that cause inner shell ionization
by: Deimetry, Michael, et al.
Published: (2024)

Tuning competing electronic phases in monolayer VSe$_2$ via interface hybridization
by: Pushkarna, Ishita, et al.
Published: (2026)

Multi-temperature atomic ensemble: nonequilibrium evolution after ultrafast electronic excitation
by: Medvedev, Nikita, et al.
Published: (2024)

Static heterogeneity generates apparent universality in first-passage bursty dynamics
by: Møller, Morten, et al.
Published: (2026)

Non-ionizing cross section of electron scattering on atoms in matter accounting for dynamical screening effect
by: Medvedev, N., et al.
Published: (2024)

Thermodynamic Evidence for Density Wave Order in Two Dimensional 4He Supersolid
by: Knapp, J., et al.
Published: (2024)

A Unified Theory of Deterministic Magnetic Switching
by: Fu, Xizhi, et al.
Published: (2026)

Electromagnetic drag in partly gated 2d electron system via highly confined screened plasmons
by: Moiseenko, I. M., et al.
Published: (2025)

Moiré pattern multiplicity driven by electronic effects in two-dimensional CrCl3/Au heterostructures
by: Gambari, Eugenio, et al.
Published: (2025)

Cut-and-Project Density Functional Theory for Quasicrystals
by: Nop, Gavin N., et al.
Published: (2026)

Predictive first-principles simulations for co-designing next-generation energy-efficient AI systems
by: Mamaluy, Denis, et al.
Published: (2026)

Layer-dependent Landé $g$-factors of electrons, holes, and excitons in two-dimensional Ruddlesden-Popper lead halide perovskites
by: Kopteva, Nataliia E., et al.
Published: (2026)

Band Structures of One-Dimensional Periodic Materials with Graph Theory
by: Gerstner, R.
Published: (2024)

Dynamic Many-Body Theory: The dynamics of atomic impurities in $^4$He
by: Krotscheck, Eckhard
Published: (2026)

Microscopic Theory of Chiral-Phonon-Induced Orbital Selectivity in Helical Crystals
by: Tateishi, Tomomi, et al.
Published: (2026)

Electric-field gradients at the nuclei from all-electron, four-component relativistic density-functional theory using Gaussian-type orbitals
by: Joosten, Marc, et al.
Published: (2024)

Interplay between inversion and translation symmetries in trigonal PtBi$_2$
by: Palumbo, Santiago, et al.
Published: (2025)

Searching for fixed points of dynamical systems by the Explorative Relaxation Redistribution Method
by: Chiavazzo, Eliodoro
Published: (2025)

The Transfer Matrix Method (TMM): Technical Bottlenecks and Industrial Evolution in 1D Wave Physics
by: Suarez, Joaquin Garcia
Published: (2025)

Approximate solutions to the shrinking core model and their interpretation
by: Moreno-Pulido, Cristian, et al.
Published: (2025)

Identification of the transport regimes of the one-dimensional Holstein model
by: Miladić, Suzana, et al.
Published: (2025)

Predictive Mixing for Density Functional Theory (and other Fixed-Point Problems)
by: Marks, Laurence
Published: (2021)

Femtosecond electron beam probe of ultrafast electronics
by: Mattes, Maximilian, et al.
Published: (2024)

Random packing fraction of binary similar particles: Onsager's excluded volume model revisited
by: Brouwers, H. J. H.
Published: (2022)

Interplay of electric and magnetic fields in skyrmion phases of the classical Heisenberg model on a square lattice
by: Wac, A. Vela, et al.
Published: (2025)

Mechanical Degradation of Unentangled Polymer Melts under Uniaxial Extensional Flow
by: Wang, Mingchao, et al.
Published: (2025)

Complex segregation patterns in confined nonuniform granular shearing flows
by: Caro, Santiago, et al.
Published: (2026)

Anonymous leadership and stochastic resonance in collectives of self-propelled robots
by: Dizenhaus, Manuel, et al.
Published: (2025)

Control of friction: shortcuts and optimization for the rate- and state-variable equation
by: Plati, Andrea, et al.
Published: (2024)

Moisture-driven CO2 direct air capture and delivery for cultivating cyanobacteria
by: Flory, Justin, et al.
Published: (2025)

Thermal Transport Anomalies of Electrolyte Solutions in the Water Supercooled Regime: Signatures of the Liquid-Liquid Water Phase Transition
by: Zhao, Guansen, et al.
Published: (2025)