Copertina

An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Roulet, Julien, Vaníček, Jiří
Natura:	Preprint
Pubblicazione:	2021
Soggetti:	Chemical Physics Computational Physics Quantum Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

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

Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation
di: Roulet, Julien, et al.
Pubblicazione: (2019)

Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equation
di: Vaníček, Jiří J. L.
Pubblicazione: (2023)

Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics
di: Zhang, Zhan Tong, et al.
Pubblicazione: (2023)

Finite-temperature, anharmonicity, and Duschinsky effects on the two-dimensional electronic spectra from ab initio thermo-field Gaussian wavepacket dynamics
di: Begušić, Tomislav, et al.
Pubblicazione: (2021)

On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
di: Begušić, Tomislav, et al.
Pubblicazione: (2020)

Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation
di: Choi, Seonghoon, et al.
Pubblicazione: (2019)

On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
di: Begušić, Tomislav, et al.
Pubblicazione: (2020)

Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?
di: Choi, Seonghoon, et al.
Pubblicazione: (2020)

Accelerating equilibrium isotope effect calculations: II. Stochastic implementation of direct estimators
di: Karandashev, Konstantin, et al.
Pubblicazione: (2019)

Single-Hessian thawed Gaussian approximation: The missing rung on the ladder
di: Begušić, Tomislav, et al.
Pubblicazione: (2019)

On the single-Hessian Gaussian wavepacket dynamics
di: Barbiero, Davide, et al.
Pubblicazione: (2026)

Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene
di: Prlj, Antonio, et al.
Pubblicazione: (2020)

On-the-Fly Ab Initio Hagedorn Wavepacket Dynamics: Single Vibronic Level Fluorescence Spectra of Difluorocarbene
di: Zhang, Zhan Tong, et al.
Pubblicazione: (2024)

Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?
di: Scheidegger, Alan, et al.
Pubblicazione: (2025)

Ehrenfest dynamics accelerated with SPEED
di: Scheidegger, Alan, et al.
Pubblicazione: (2025)

Simulating Molecular Single Vibronic Level Fluorescence Spectra with ab initio Hagedorn Wavepacket Dynamics
di: Zhang, Zhan Tong, et al.
Pubblicazione: (2024)

Single vibronic level fluorescence spectra from Hagedorn wavepacket dynamics
di: Zhang, Zhan Tong, et al.
Pubblicazione: (2024)

Simple and general unitarity conserving numerical real time propagators of time dependent Schrödinger equation based on Magnus expansion
di: Ture, Taner M., et al.
Pubblicazione: (2023)

On Hagedorn wavepackets associated with different Gaussians
di: Vaníček, Jiří J. L., et al.
Pubblicazione: (2024)

Sampling strategies for the Herman-Kluk propagator of the wavefunction
di: Kröninger, Fabian, et al.
Pubblicazione: (2022)

Capturing anharmonic effects in single vibronic level fluorescence spectra using local harmonic Hagedorn wavepacket dynamics
di: Zhang, Zhan Tong, et al.
Pubblicazione: (2024)

Vibronic spectra at nonzero temperatures from Herman-Kluk coherence thermofield dynamics
di: Kröninger, Fabian, et al.
Pubblicazione: (2025)

Refined approach to cellularization: going from Heller's thawed Gaussian approximation to the Herman--Kluk propagator
di: Antipov, Sergey V., et al.
Pubblicazione: (2025)

Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation
di: Nys, Jannes, et al.
Pubblicazione: (2024)

Open-source implementation of the anti-Hermitian contracted Schrödinger equation for electronic ground and excited states
di: Gibney, Daniel, et al.
Pubblicazione: (2026)

Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules
di: Golubev, Nikolay V., et al.
Pubblicazione: (2022)

Numerical investigation of the quantum inverse algorithm on small molecules
di: Cainelli, Mauro, et al.
Pubblicazione: (2024)

Search for long lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
di: Scheidegger, Alan, et al.
Pubblicazione: (2021)

How to find molecules with long-lasting charge migration?
di: Scheidegger, Alan, et al.
Pubblicazione: (2023)

Quantum block Krylov subspace projector algorithm for computing low-lying eigenenergies
di: Oliveira, Maria Gabriela Jordão, et al.
Pubblicazione: (2025)

Comparison between explicit and implicit discretization strategies for a dissipative thermal environment
di: Chen, Xinxian, et al.
Pubblicazione: (2026)

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments
di: Chen, Xinxian, et al.
Pubblicazione: (2025)

Integrated Software/Hardware Execution Models for High-Accuracy Methods in Chemistry
di: Bauman, Nicholas, et al.
Pubblicazione: (2025)

Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations
di: Gao, Nicholas, et al.
Pubblicazione: (2024)

Capturing spin chain dynamics with periodically projected time-dependent basis
di: Chuang, Grace Hsiao-Han, et al.
Pubblicazione: (2023)

Calculating Vibronic Spectra with a linear algorithm based on Gaussian Boson Sampling
di: Konyshev, I., et al.
Pubblicazione: (2025)

HierarchicalEOM.jl: An efficient Julia framework for hierarchical equations of motion in open quantum systems
di: Huang, Yi-Te, et al.
Pubblicazione: (2023)

Isotope effects in the electronic spectra of ammonia from ab initio semiclassical dynamics
di: Klētnieks, Ēriks, et al.
Pubblicazione: (2023)

Real-time propagation of adaptive sampling selected configuration interaction wave function
di: Shee, Avijit, et al.
Pubblicazione: (2024)