Copertina

Time Evolution of ML-MCTDH Wavefunctions I: Gauge Conditions, Basis Functions, and Singularities

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Lindoy, Lachlan P., Kloss, Benedikt, Reichman, David R.
Natura:	Preprint
Pubblicazione:	2021
Soggetti:	Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Time Evolution of ML-MCTDH Wavefunctions II: Application of the Projector Splitting Integrator
di: Lindoy, Lachlan P., et al.
Pubblicazione: (2021)

Investigating the Collective Nature of Cavity Modified Chemical Kinetics under Vibrational Strong Coupling
di: Lindoy, Lachlan P., et al.
Pubblicazione: (2024)

Correlation Functions From Tensor Network Influence Functionals: The Case of the Spin-Boson Model
di: Nguyen, Haimi, et al.
Pubblicazione: (2024)

Hierarchical Wavepacket Propagation Framework via ML-MCTDH for Molecular Reaction Dynamics
di: Zhang, Xingyu, et al.
Pubblicazione: (2025)

On the Discretization Error of the Discrete Generalized Quantum Master Equation
di: Peng, Ruojing, et al.
Pubblicazione: (2025)

Reply to "Comment on "Unified Framework for Open Quantum Dynamics with Memory""
di: Ivander, Felix, et al.
Pubblicazione: (2024)

Unified Framework for Open Quantum Dynamics with Memory
di: Ivander, Felix, et al.
Pubblicazione: (2023)

pyTTN: An Open Source Toolbox for Open and Closed System Quantum Dynamics Simulations Using Tree Tensor Networks
di: Lindoy, Lachlan P, et al.
Pubblicazione: (2025)

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

Application of Correlated-Wavefunction and Density-Functional Theories to Endofullerenes: A Cautionary Tale
di: Panchagnula, K., et al.
Pubblicazione: (2025)

Singlet Geminal Wavefunctions
di: Johnson, Paul A., et al.
Pubblicazione: (2024)

Stochastic Representation of Time-Evolving Neural Network-based Wavefunctions
di: Huang, Bizi, et al.
Pubblicazione: (2025)

Mixed Quantum-Classical Methods for Polaron Spectral Functions
di: Nguyen, Haimi, et al.
Pubblicazione: (2025)

Machine Learning Wavefunction
di: Battaglia, Stefano
Pubblicazione: (2022)

A Flexible, Automated, and Basis-Set Insensitive Domain-Based Charge-Transfer Decomposition for Correlated Wavefunctions and its Application to Inter- and Intramolecular Cases
di: Szczuczko, Lena, et al.
Pubblicazione: (2026)

Excited states in auxiliary field quantum Monte Carlo
di: Mahajan, Ankit, et al.
Pubblicazione: (2025)

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

Perturbative Expansion in Reciprocal Space: Bridging Microscopic and Mesoscopic Descriptions of Molecular Interactions
di: Jin, Jaehyeok, et al.
Pubblicazione: (2023)

Understanding Discrepancies of Wavefunction Theories for Large Molecules
di: Schäfer, Tobias, et al.
Pubblicazione: (2024)

Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry
di: Cui, Zhi-Hao, et al.
Pubblicazione: (2023)

Towards Accurate Mixed Quantum Classical Simulations of Vibrational Polaritonic Chemistry
di: Hasyim, Muhammad R., et al.
Pubblicazione: (2025)

Hierarchical Framework for Predicting Entropies in Bottom-Up Coarse-Grained Models
di: Jin, Jaehyeok, et al.
Pubblicazione: (2023)

QMCTorch: Molecular Wavefunctions with Neural Components for Energy and Force Calculations
di: Renaud, Nicolas
Pubblicazione: (2025)

Benchmark Computations of Nearly Degenerate Singlet and Triplet states of N-heterocyclic Chromophores : I. Wavefunction-based Methods
di: Chanda, Shamik, et al.
Pubblicazione: (2023)

The vDZP Basis Set Is Effective For Many Density Functionals
di: Wagen, Corin C., et al.
Pubblicazione: (2024)

Compactifying Electronic Wavefunctions I: Error-Mitigated Transcorrelated DMRG
di: Araújo, Bruna G. M., et al.
Pubblicazione: (2025)

Neural Wavefunction Calculations of μSR Spectra with Quantum Muons and Protons
di: Carr, Jamie, et al.
Pubblicazione: (2026)

MetaWave: A Platform for Unified Implementation of Nonrelativistic and Relativistic Wavefunctions
di: Zhang, Ning, et al.
Pubblicazione: (2025)

Microscopic Phase-Field Modeling
di: Jin, Jaehyeok, et al.
Pubblicazione: (2024)

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

Field-Theoretic Simulation of Dean-Kawasaki Dynamics for Interacting Particles
di: Jin, Jaehyeok, et al.
Pubblicazione: (2025)

Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes
di: Vuong, Hung T., et al.
Pubblicazione: (2025)

Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry
di: Wei, Yujing, et al.
Pubblicazione: (2024)

Quantum Machine Learning of Molecular Energies with Hybrid Quantum-Neural Wavefunction
di: Li, Weitang, et al.
Pubblicazione: (2025)

FragPT2: Multi-Fragment Wavefunction Embedding with Perturbative Interactions
di: Koridon, Emiel, et al.
Pubblicazione: (2024)

Microscopic Theory of Density Scaling: Coarse-Graining in Space and Time
di: Jin, Jaehyeok, et al.
Pubblicazione: (2024)

Spin-Adapted Neural Network Wavefunctions in Real Space
di: Li, Ruichen, et al.
Pubblicazione: (2025)

Wavefunction-based electrostatic-embedding QM/MM using CFOUR through MiMiC
di: Kirsch, Till, et al.
Pubblicazione: (2021)

Size Extensive Auxiliary-Field Quantum Monte Carlo with Perturbative Coupled Cluster Trial Wavefunction
di: Zhang, Yichi, et al.
Pubblicazione: (2026)

Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
di: Jasrasaria, Dipti, et al.
Pubblicazione: (2024)