Copertina

Adaptive Slater Koster Parameters: Crossing Oxidation States with Density Functional Tight Binding

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Song, Yihua, Samtsevych, Artem, Beiersdorfer, Anton, Melson, Tobias, Scheurer, Christoph, Reuter, Karsten, Panosetti, Chiara
Natura:	Preprint
Pubblicazione:	2026
Soggetti:	Materials Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Determination of Density Functional Tight Binding Models for Cerium Allotropes
di: Goldman, Nir, et al.
Pubblicazione: (2026)

Low‐Cost Periodic Calculations of Metal‐Organic Frameworks: A GFN1‐xTB Perspective
di: Mateusz Pokora, et al.
Pubblicazione: (2025)

Density Functional Tight-Binding Enables Tractable Studies of Quantum Plasmonics
di: Chellam, Nikhil S., et al.
Pubblicazione: (2025)

Emission line spectra from low-density laboratory plasmas
di: P. Beiersdorfer
Pubblicazione: (2000)

Cataloguing emission line spectra from fe vii-fe XXIV in the extreme ultraviolet
di: P. Beiersdorfer
Pubblicazione: (2000)

On distances among Slater Determinant States and Determinantal Point Processes
di: Boccato, Chiara, et al.
Pubblicazione: (2025)

Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
di: Mirón, Gonzalo Díaz, et al.
Pubblicazione: (2024)

Trajectory Surface Hopping with Tight Binding Density Functional Theory applied to Molecular Motors
di: Mirón, Gonzalo Díaz, et al.
Pubblicazione: (2024)

Creation of an Fe$_3$P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations
di: Dettori, Riccardo, et al.
Pubblicazione: (2024)

Density Functional Tight-Binding Captures Plasmon-Driven H$_2$ Dissociation on Al Nanocrystals
di: Chellam, Nikhil S., et al.
Pubblicazione: (2025)

Hemophilic Pseudotumor Arising in Buccal Space Presenting as Rapidly Progressive Facial Swelling: A Diagnostic Dilemma
di: Asimakis D. Asimakopoulos, et al.
Pubblicazione: (2025)

Stabilizing Frustrated Phase Transitions in Selective Oxidation Reactions
di: Luis Sandoval‐Diaz, et al.
Pubblicazione: (2025)

Density-Functional Tight Binding Meets Maxwell: Unraveling the Mysteries of (Strong) Light-Matter Coupling Efficiently
di: Sidler, Dominik, et al.
Pubblicazione: (2025)

A Study of Applicability of Density Functional Tight Binding—Molecular Mechanics Approach for the Calculation of Optical Properties
di: Tengxiang Li, et al.
Pubblicazione: (2026)

Multiscale Microscopy via Automation: Dual Magnification ESEM Imaging by Frame Alternation
di: Vuijk, Maurits, et al.
Pubblicazione: (2025)

Broad Yet Narrow: Super-resolution techniques to simulate electronic spectra of large molecular systems
di: Kick, Matthias, et al.
Pubblicazione: (2024)

Multiscale Microscopy via Automation: Dual Magnification Environmental Scanning Electron Microscopy Imaging by Frame Alternation
di: Maurits Vuijk, et al.
Pubblicazione: (2026)

Solution of Schrödinger Equation for Simple Diatomic Molecules Using One‐Parameter 1s Slater‐Type Orbitals Wave Function
di: Fiqri Aditya Riyanto, et al.
Pubblicazione: (2024)

Tight complexity bounds for diagram commutativity verification
di: Malko, Artem, et al.
Pubblicazione: (2025)

On Boltzmann Averaging in Ab Initio Thermodynamics
di: Heenen, Hendrik H., et al.
Pubblicazione: (2025)

Reseña de "Microlepidoptera of Europe, volume 5 momphidae s. 1." de S. Koster & S. Sinev
di: A. Vives Moreno
Pubblicazione: (2004)

Estimation Enhancing in Optoelectronic Property: A Novel Approach Using Orbital Interaction Parameters and Tight-Binding
di: Zargar, Ali Haji Ebrahim, et al.
Pubblicazione: (2024)

Zero-energy Edge States of Tight-Binding Models for Generalized Honeycomb-Structured Materials
di: Miao, Borui, et al.
Pubblicazione: (2025)

Surface Structure and Surface State of a Tight-Binding Model on a Diamond Lattice
di: Kubo, Katsunori
Pubblicazione: (2025)

Numerical Integration of Slater Basis Functions Over Prolate Spheroidal Grids
di: Stark, Alexander, et al.
Pubblicazione: (2025)

Numerical Integration of Slater Basis Functions Over Prolate Spheroidal Grids
di: Alexander Stark, et al.
Pubblicazione: (2026)

Self-Consistent Equations for Nonempirical Tight Binding Theory
di: Mironenko, Alexander V.
Pubblicazione: (2022)

Choosing Tight-Binding Models for Accurate Optoelectronic Responses
di: Ghosh, Andreas, et al.
Pubblicazione: (2024)

Optimization of Ab-Initio Based Tight-Binding Models
di: Dick, Henrik, et al.
Pubblicazione: (2025)

Exploring the Electronic Potential of Effective Tight$-$Binding Hamiltonians
di: Candiotto, Graziâni
Pubblicazione: (2024)

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials
di: Konstantin S. Jakob, et al.
Pubblicazione: (2025)

GABA B Receptors Mediate Intracellular Calcium Release in Astrocytes of the Prefrontal Cortex
di: Jennifer Bostel, et al.
Pubblicazione: (2025)

Density Functional Leveraged Tight-binding Insights into Inorganic Halide Perovskites
di: Shaheen, Misbah, et al.
Pubblicazione: (2025)

Laser Pulse Induced Second- and Third-Harmonic Generation of Gold Nanorods with Real-Time Time-Dependent Density Functional Tight Binding (RT-TDDFTB) Method
di: Giri, Sajal Kumar, et al.
Pubblicazione: (2024)

Dynamical Pathways for the Interaction of O2, H2O, CH4, and CO2 with α‐Alumina Surfaces: Density‐Functional Tight‐Binding Calculations
di: F. Javier Domínguez‐Gutiérrez, et al.
Pubblicazione: (2024)

Transversality-Enforced Tight-Binding Models for 3D Photonic Crystals aided by Topological Quantum Chemistry
di: Morales-Pérez, Antonio, et al.
Pubblicazione: (2023)

Comparative Analysis of Tight-Binding models for Transition Metal Dichalcogenides
di: Jorissen, Bert, et al.
Pubblicazione: (2023)

Preventing the Breakdown of Tight-Binding Waveguide Optics by Löwdin Orthogonalization
di: Tschernig, Konrad, et al.
Pubblicazione: (2026)

Electronic Properties of Stanene Nanoribbon Using Tight Binding Method
di: Md Ar Rafiul Faisal, et al.
Pubblicazione: (2025)

Optimizing Extended Tight‐Binding Methods for Metal‐Surface Interactions
di: Siyavash Moradi, et al.
Pubblicazione: (2025)