Cover Image

Geometric theory of constrained Schrödinger dynamics with application to time-dependent density-functional theory on a finite lattice

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Cancès, Eric, Duez, Théo, van Gog, Jari, Lauritsen, Asbjørn Bækgaard, Lewin, Mathieu, Toulouse, Julien
Format:	Preprint
Published:	2026
Subjects:	Materials Science Mathematical Physics Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Geometric Time-Dependent Density Functional Theory
by: Cancès, Éric, et al.
Published: (2026)

Geometric Time-Dependent Density Functional Theory
by: Cancès, Éric, et al.
Published: (2026)

Double-hybrid density-functional theory with density-based basis-set correction
by: Znaïda, Aurore, et al.
Published: (2025)

Almost optimal upper bound for the ground state energy of a dilute Fermi gas via cluster expansion
by: Lauritsen, Asbjørn Bækgaard
Published: (2023)

Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part I: General framework, application to Hartree-Fock and DFT
by: Grazioli, Laura, et al.
Published: (2025)

Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
by: Traore, Diata, et al.
Published: (2024)

Ground state energy of the dilute spin-polarized Fermi gas: Lower bound
by: Lauritsen, Asbjørn Bækgaard, et al.
Published: (2024)

Pressure of a dilute spin-polarized Fermi gas: Lower bound
by: Lauritsen, Asbjørn Bækgaard, et al.
Published: (2023)

Ground state energy of the dilute spin-polarized Fermi gas: Upper bound via cluster expansion
by: Lauritsen, Asbjørn Bækgaard, et al.
Published: (2023)

Pressure of a dilute spin-polarized Fermi gas: Upper bound
by: Lauritsen, Asbjørn Bækgaard, et al.
Published: (2024)

Time-dependent ab__initio molecular-orbital decomposition for high-harmonic generation spectroscopy
by: Marchetta, Marco, et al.
Published: (2025)

Critical point search and linear response theory for computing electronic excitation energies of molecular systems. Part II. CASSCF
by: Grazioli, Laura, et al.
Published: (2026)

Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory
by: Roulet, Julien, et al.
Published: (2020)

Real-time nuclear-electronic orbital time-dependent density functional theory with a constrained traveling proton basis
by: Boyer, Nicholas J., et al.
Published: (2026)

Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)

Review of the foundations of time-dependent density-functional theory (TDDFT)
by: Schirmer, Jochen
Published: (2024)

Multi-center decomposition of molecular densities: A numerical perspective
by: Cheng, YingXing, et al.
Published: (2024)

Harnessing dressed time-dependent density functional theory for the non-perturbative regime: Electron dynamics with double excitations
by: Ray, Dhyey, et al.
Published: (2025)

A density-fitting implementation of the density-based basis-set correction method
by: Heßelmann, Andreas, et al.
Published: (2023)

An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation
by: Roulet, Julien, et al.
Published: (2021)

Vacuum polarization in a one-dimensional effective quantum-electrodynamics model
by: Audinet, Timothée, et al.
Published: (2024)

Time-dependent density functional theory investigation of the formation of H$^{3+}$ from alkanes
by: Jiang, C., et al.
Published: (2025)

Quantum effects of Coulomb explosion simulations revealed by time-dependent density-functional theory
by: Taylor, Samuel S., et al.
Published: (2024)

"Ensemblization" of density functional theory
by: Gould, Tim, et al.
Published: (2025)

Optimized auxiliary functions for robust mitigation of finite-size errors in periodic hybrid density functional theory
by: Quiton, Stephen Jon, et al.
Published: (2025)

Quantum-electrodynamical time-dependent density functional theory description of molecules in optical cavities
by: Aklilu, Yetmgeta, et al.
Published: (2025)

Time-dependent density functional theory study of strong-field laser-induced coulomb explosion of the HCl dimer
by: Jiang, Chen, et al.
Published: (2026)

Neural network distillation of orbital dependent density functional theory
by: Medvidović, Matija, et al.
Published: (2024)

Ground state energy is not always convex in the number of electrons
by: Di Marino, Simone, et al.
Published: (2024)

Improved Lieb-Oxford bound on the indirect and exchange energies
by: Lewin, Mathieu, et al.
Published: (2022)

Kinetics of seeded protein aggregation: theory and application
by: Dear, Alexander J., et al.
Published: (2025)

Nonlinear effects in light-ion stopping powers within real-time time-dependent density functional theory
by: Kononov, Alina, et al.
Published: (2025)

Optical excitations in nanographenes from the Bethe-Salpeter equation and time-dependent density functional theory: absorption spectra and spatial descriptors
by: Graml, Maximilian, et al.
Published: (2025)

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

Exact density-functional theory as parallel ensemble variational hierarchies: from Lieb's formulation to Kohn-Sham theory
by: Sheng, Nan
Published: (2026)

The coherent-state transformation in quantum electrodynamics coupled cluster theory
by: Fischer, Eric W.
Published: (2026)

Direct unconstrained optimization of excited states in density functional theory
by: Pham, Hanh D. M., et al.
Published: (2025)

Multiconfigurational short-range on-top pair-density functional theory
by: Jørgensen, Frederik Kamper, et al.
Published: (2024)

Exactly factorized molecular Kohn-Sham density functional theory
by: Dupuy, Lucien, et al.
Published: (2026)

Multi-band superconductors have enhanced critical temperatures
by: Henheik, Joscha, et al.
Published: (2024)