Cover Image

Real-Time Time-Dependent Density Functional Theory for Pump-Probe Spectroscopies

Fuente: arXiv

Saved in:

Bibliographic Details
Main Author:	Moitra, Torsha
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy
by: Moitra, Torsha, et al.
Published: (2025)

Self-Adaptive Real-Time Time-Dependent Density Functional Theory for X-ray Absorptions
by: Ye, Linfeng, et al.
Published: (2022)

Ensemble Time-Dependent Density Functional Theory
by: Daas, Kimberly J., et al.
Published: (2025)

Beyond Born-Oppenheimer Time-Dependent Density Functional Theory
by: Li, Chen, et al.
Published: (2025)

Excited State Densities from Time-Dependent Density Functional Response Theory
by: Baranova, Anna, et al.
Published: (2025)

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

Lineshapes in Pump-Probe Spectroscopy of Polaritons
by: Philipp, Luca Nils, et al.
Published: (2025)

Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules Interacting with Light
by: Aklilu, Yetmgeta, et al.
Published: (2026)

The Exact Exchange-Correlation Potential in Time-Dependent Density Functional Theory: Choreographing Electrons with Steps and Peaks
by: Dar, Davood, et al.
Published: (2022)

Ultrafast Photochemistry and Electron Diffraction for Cyclobutanone in the S2 State: Surface Hopping with Time-Dependent Density Functional Theory
by: Miller, Ericka Roy, et al.
Published: (2024)

Time Dependent Density Functional Theory calculations of the optical properties of charge-transfer complexes
by: Ramanjanappa, Satwik, et al.
Published: (2024)

Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory
by: Zhang, Xuan, et al.
Published: (2026)

Applying the Liouville-Lanczos Method of Time-Dependent Density-Functional Theory to Warm Dense Matter
by: Moldabekov, Zhandos A., et al.
Published: (2025)

TD$Δ$SCF: Time-Dependent Density Functional Theory with a Non-Aufbau Reference for near-degenerate states
by: Shibasaki, Shuto, et al.
Published: (2026)

Enhancing the Efficiency of Time-Dependent Density Functional Theory Calculations of Dynamic Response Properties
by: Moldabekov, Zhandos A., et al.
Published: (2025)

Reformulation of Time-Dependent Density Functional Theory for Non-Perturbative Dynamics: The Rabi Oscillation Problem Resolved
by: Dar, Davood B., et al.
Published: (2024)

Time-Dependent Density Functional Theory Simulation for Analyzing Neutralization Process of Hydrogen Ion Injected onto Tungsten Surfaces
by: Toda, Yuto, et al.
Published: (2024)

Very-Large-Scale GPU-Accelerated Nuclear Gradient of Time-Dependent Density Functional Theory with Tamm-Dancoff Approximation and Range-Separated Hybrid Functionals
by: Kim, Inkoo, et al.
Published: (2024)

Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
by: Krishnan, Aparna, et al.
Published: (2026)

Time-Dependent Coupled-Cluster Theory of Multireference Systems
by: Mosquera, Martín A.
Published: (2025)

Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures
by: Mejía, Leopoldo, et al.
Published: (2023)

Comparing and Contrasting Vibrational Wavepacket Dynamics and Impulsive Stimulating Raman Scattering Descriptions of Pump-Probe Spectroscopy: A Theoretical Study
by: Mitra, Subho, et al.
Published: (2026)

Developing Orbital-Dependent Corrections for the Non-Additive Kinetic Energy in Subsystem Density Functional Theory
by: Eitelhuber, Larissa Sophie, et al.
Published: (2024)

Quantum Electron Dynamics in Helium Ion Injection onto Tungsten Surfaces Based on Time-Dependent Density Functional Theory
by: Ito, Atsushi M., et al.
Published: (2024)

Reduced Density Matrix Functional Theory And A Reduced Formulation Of Density Functional Theory
by: Fredheim, Håkon R., et al.
Published: (2025)

Real-Time Coupled Cluster Theory with Approximate Triples
by: Wang, Zhe, et al.
Published: (2024)

A Verbose Note on Density Functional Theory
by: Liu, Chang
Published: (2024)

Fisher Information in Time-Domain Spectroscopy
by: Bolzonello, Luca, et al.
Published: (2023)

X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency
by: Repisky, Michal, et al.
Published: (2025)

Probing of Core Excitons in Solid NaF with Polarization-Selective Attosecond Time-Resolved Four-Wave Mixing Spectroscopy
by: Xiong, Kevin Gulu, et al.
Published: (2026)

Simulating Ultrafast Transient Absorption Spectra from First Principles using a Time-Dependent Configuration Interaction Probe
by: Mehmood, Arshad, et al.
Published: (2024)

Hybrid Quantum Algorithm for Simulating Real-Time Thermal Correlation Functions
by: Eklund, Elliot C., et al.
Published: (2024)

High-Dimensional Operator Learning for Molecular Density Functional Theory
by: Yang, Jinni, et al.
Published: (2024)

Density Functional Theory Calculations of the thermochemistry of the dehydration of 2-propanol
by: Mananga, Eugene Stephane, et al.
Published: (2024)

Leveraging Normalizing Flows for Orbital-Free Density Functional Theory
by: de Camargo, Alexandre, et al.
Published: (2024)

A Molecular Density Functional Theory of aqueous electrolytic solution
by: Jeanmairet, Guillaume, et al.
Published: (2025)

Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory
by: Konecny, Lukas, et al.
Published: (2024)

On Supercapacitors Time-Domain Spectroscopy. C/R Characteristic Slope
by: Agafonov, Dmitry Valentinovich, et al.
Published: (2024)

Excited States from Quasiparticle Hamiltonian Based on Density Functional Theory
by: Shen, Yang, et al.
Published: (2026)

Restoring the Conical Intersection Topology using Convex Density Functional Theory
by: Rossi, Federico, et al.
Published: (2026)