Refined approach to cellularization: going from Heller's thawed Gaussian approximation to the Herman--Kluk propagator
Fuente:
arXiv
Guardado en:
| Autores principales: | Antipov, Sergey V., Kröninger, Fabian, Vaníček, Jiří J. L. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Vibronic spectra at nonzero temperatures from Herman-Kluk coherence thermofield dynamics
por: Kröninger, Fabian, et al.
Publicado: (2025)
por: Kröninger, Fabian, et al.
Publicado: (2025)
Sampling strategies for the Herman-Kluk propagator of the wavefunction
por: Kröninger, Fabian, et al.
Publicado: (2022)
por: Kröninger, Fabian, et al.
Publicado: (2022)
Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equation
por: Vaníček, Jiří J. L.
Publicado: (2023)
por: Vaníček, Jiří J. L.
Publicado: (2023)
Single-Hessian thawed Gaussian approximation: The missing rung on the ladder
por: Begušić, Tomislav, et al.
Publicado: (2019)
por: Begušić, Tomislav, et al.
Publicado: (2019)
On Hagedorn wavepackets associated with different Gaussians
por: Vaníček, Jiří J. L., et al.
Publicado: (2024)
por: Vaníček, Jiří J. L., et al.
Publicado: (2024)
On the single-Hessian Gaussian wavepacket dynamics
por: Barbiero, Davide, et al.
Publicado: (2026)
por: Barbiero, Davide, et al.
Publicado: (2026)
Herman-Kluk-Like Semi-Classical Initial-Value Representation for Boltzmann Operator
por: Wang, Binhao, et al.
Publicado: (2025)
por: Wang, Binhao, et al.
Publicado: (2025)
Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?
por: Scheidegger, Alan, et al.
Publicado: (2025)
por: Scheidegger, Alan, et al.
Publicado: (2025)
Finite-temperature, anharmonicity, and Duschinsky effects on the two-dimensional electronic spectra from ab initio thermo-field Gaussian wavepacket dynamics
por: Begušić, Tomislav, et al.
Publicado: (2021)
por: Begušić, Tomislav, et al.
Publicado: (2021)
Ehrenfest dynamics accelerated with SPEED
por: Scheidegger, Alan, et al.
Publicado: (2025)
por: Scheidegger, Alan, et al.
Publicado: (2025)
Single vibronic level fluorescence spectra from Hagedorn wavepacket dynamics
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
Sampling strategies for expectation values within the Herman--Kluk approximation
por: Kröninger, Fabian, et al.
Publicado: (2024)
por: Kröninger, Fabian, et al.
Publicado: (2024)
On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
por: Begušić, Tomislav, et al.
Publicado: (2020)
por: Begušić, Tomislav, et al.
Publicado: (2020)
Efficient geometric integrators for nonadiabatic quantum dynamics. I. The adiabatic representation
por: Choi, Seonghoon, et al.
Publicado: (2019)
por: Choi, Seonghoon, et al.
Publicado: (2019)
On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
por: Begušić, Tomislav, et al.
Publicado: (2020)
por: Begušić, Tomislav, et al.
Publicado: (2020)
Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory
por: Roulet, Julien, et al.
Publicado: (2020)
por: Roulet, Julien, et al.
Publicado: (2020)
Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?
por: Choi, Seonghoon, et al.
Publicado: (2020)
por: Choi, Seonghoon, et al.
Publicado: (2020)
Accelerating equilibrium isotope effect calculations: II. Stochastic implementation of direct estimators
por: Karandashev, Konstantin, et al.
Publicado: (2019)
por: Karandashev, Konstantin, et al.
Publicado: (2019)
An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation
por: Roulet, Julien, et al.
Publicado: (2021)
por: Roulet, Julien, et al.
Publicado: (2021)
Simulating Molecular Single Vibronic Level Fluorescence Spectra with ab initio Hagedorn Wavepacket Dynamics
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics
por: Zhang, Zhan Tong, et al.
Publicado: (2023)
por: Zhang, Zhan Tong, et al.
Publicado: (2023)
Capturing anharmonic effects in single vibronic level fluorescence spectra using local harmonic Hagedorn wavepacket dynamics
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
Efficient geometric integrators for nonadiabatic quantum dynamics. II. The diabatic representation
por: Roulet, Julien, et al.
Publicado: (2019)
por: Roulet, Julien, et al.
Publicado: (2019)
On-the-Fly Ab Initio Hagedorn Wavepacket Dynamics: Single Vibronic Level Fluorescence Spectra of Difluorocarbene
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
por: Zhang, Zhan Tong, et al.
Publicado: (2024)
Nonconvergence of the Feynman-Dyson diagrammatic perturbation expansion of propagators
por: Hirata, So, et al.
Publicado: (2023)
por: Hirata, So, et al.
Publicado: (2023)
The time-dependent bivariational principle: Theoretical foundation for real-time propagation methods of coupled-cluster type
por: Kvaal, Simen, et al.
Publicado: (2024)
por: Kvaal, Simen, et al.
Publicado: (2024)
High-order geometric integrators for the local cubic variational Gaussian wavepacket dynamics
por: Fereidani, Roya Moghaddasi, et al.
Publicado: (2023)
por: Fereidani, Roya Moghaddasi, et al.
Publicado: (2023)
Open quantum dynamics with variational non-Gaussian states and the truncated Wigner approximation
por: Bond, Liam J., et al.
Publicado: (2024)
por: Bond, Liam J., et al.
Publicado: (2024)
Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules
por: Golubev, Nikolay V., et al.
Publicado: (2022)
por: Golubev, Nikolay V., et al.
Publicado: (2022)
High-order geometric integrators for the variational Gaussian approximation
por: Fereidani, Roya Moghaddasi, et al.
Publicado: (2023)
por: Fereidani, Roya Moghaddasi, et al.
Publicado: (2023)
Highly accurate semiclassical strong-field Herman-Kluk propagator method for high-harmonic generation
por: Tran, Phi-Hung, et al.
Publicado: (2026)
por: Tran, Phi-Hung, et al.
Publicado: (2026)
Ground and Excited States from Ensemble Variational Principles
por: Ding, Lexin, et al.
Publicado: (2024)
por: Ding, Lexin, et al.
Publicado: (2024)
Exchange-only virial relation from the adiabatic connection
por: Laestadius, Andre, et al.
Publicado: (2023)
por: Laestadius, Andre, et al.
Publicado: (2023)
v-Representability on a one-dimensional torus at elevated temperatures
por: Sutter, Sarina M., et al.
Publicado: (2025)
por: Sutter, Sarina M., et al.
Publicado: (2025)
Solution of the v-representability problem on a one-dimensional torus
por: Sutter, Sarina M., et al.
Publicado: (2023)
por: Sutter, Sarina M., et al.
Publicado: (2023)
Kohn-Sham inversion with mathematical guarantees
por: Herbst, Michael F., et al.
Publicado: (2024)
por: Herbst, Michael F., et al.
Publicado: (2024)
Solving one-body ensemble N-representability problems with spin
por: Liebert, Julia, et al.
Publicado: (2024)
por: Liebert, Julia, et al.
Publicado: (2024)
Geometry of Degeneracy in Potential and Density Space
por: Penz, Markus, et al.
Publicado: (2022)
por: Penz, Markus, et al.
Publicado: (2022)
What Can Quantum Information Theory Offer to Quantum Chemistry?
por: Aliverti-Piuri, Damiano, et al.
Publicado: (2024)
por: Aliverti-Piuri, Damiano, et al.
Publicado: (2024)
Holonomy and vortex structures in quantum hydrodynamics
por: Foskett, Michael S., et al.
Publicado: (2020)
por: Foskett, Michael S., et al.
Publicado: (2020)
Ejemplares similares
-
Vibronic spectra at nonzero temperatures from Herman-Kluk coherence thermofield dynamics
por: Kröninger, Fabian, et al.
Publicado: (2025) -
Sampling strategies for the Herman-Kluk propagator of the wavefunction
por: Kröninger, Fabian, et al.
Publicado: (2022) -
Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equation
por: Vaníček, Jiří J. L.
Publicado: (2023) -
Single-Hessian thawed Gaussian approximation: The missing rung on the ladder
por: Begušić, Tomislav, et al.
Publicado: (2019) -
On Hagedorn wavepackets associated with different Gaussians
por: Vaníček, Jiří J. L., et al.
Publicado: (2024)