Cover Image

Explicitly Correlated Gaussian Basis Approach to Periodic Systems

Fuente: arXiv

Saved in:

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

Similar Items

Description of the hydrogen atom and the He+ ion in an optical cavity using the Pauli-Fierz Hamiltonian
by: Aklilu, Yetmgeta, et al.
Published: (2024)

Ab initio study of highly charged ion-induced Coulomb explosion imaging
by: Viveiros, Misa, 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)

Striking the Right Balance of Encoding Electron Correlation in the Hamiltonian and the Wavefunction Ansatz
by: Szenes, Kalman, et al.
Published: (2024)

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

Time-dependent density-functional study of intermolecular Coulombic decay for 2a$_1$ ionized water dimer
by: Wang, Kedong, et al.
Published: (2025)

Preferred Basis in Coupled Electron-Nuclear Dynamics
by: Bang, Junhyeok
Published: (2025)

Unitary Basis Transformations in Mixed Quantum-Classical Dynamics
by: Miyazaki, Ken, et al.
Published: (2024)

Sparse Quantum State Preparation for Strongly Correlated Systems
by: Feniou, C., et al.
Published: (2023)

Quantum Simulations of Chemistry in First Quantization with any Basis Set
by: Georges, Timothy N., et al.
Published: (2024)

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

The effect of finite mass in cavity QED calculations
by: Nair, Ankita, et al.
Published: (2025)

Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction
by: Traore, Diata, et al.
Published: (2024)

Ultrafast Relaxation Dynamics of Inner-Shell Vacancies in Hydrated Pyrrole
by: Wang, Kedong, et al.
Published: (2025)

Optimizing Conical Intersections Without Explicit Use of Non-Adiabatic Couplings
by: García, Juan Sanz, et al.
Published: (2024)

Gaussian Basis Functions for a Polymer Self-Consistent Field Theory of Atoms
by: LeMaitre, Phil A., et al.
Published: (2022)

Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set
by: Ivanov, Aleksei V., et al.
Published: (2024)

Quantum Field Approaches to Chemical Systems
by: Karimpour, Reza, et al.
Published: (2026)

Fragmentation in Coulomb explosion of hydrocarbon molecules
by: Taylor, Samuel S., et al.
Published: (2024)

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

Short-time Accuracy and Intra-electron Correlation for Nonadiabatic Quantum-Classical Mapping Approaches
by: Lang, Haifeng, et al.
Published: (2024)

Variational Adaptive Gaussian Decomposition: Scalable Quadrature-Free Time-Sliced Thawed Gaussian Dynamics
by: Sharma, Rahul, et al.
Published: (2026)

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

Quantum-Enhanced Sensing of Excited-State Dynamics with Correlated Photons
by: Fan, Jiahao Joel, et al.
Published: (2025)

Auxiliary Field Quantum Monte Carlo for Electron-Photon Correlation
by: Weight, Braden M., et al.
Published: (2025)

Mixed Quantum/Classical Theory (MQCT) Approach to the Dynamics of Molecule-Molecule Collisions in Complex Systems
by: Joy, Carolin, et al.
Published: (2023)

Robust Pipek-Mezey Orbital Localization in Periodic Solids
by: Clement, Marjory C., et al.
Published: (2021)

Correlation-Converged Virtual Orbitals for Accurate and Efficient Quantum Molecular Simulations
by: Wang, Qian, et al.
Published: (2026)

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

Computing Electronic Correlation Energies using Linear Depth Quantum Circuits
by: Chee, Chong Hian, et al.
Published: (2022)

Analytical Correlation in the H$_{2}$ Molecule from the Independent Atom Ansatz
by: Leung, Alanna 'Lanie', et al.
Published: (2024)

Correlated vibration-solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy
by: Zhu, Zi-Fan, et al.
Published: (2025)

Thawed Gaussian wavepacket dynamics with $Δ$-machine learned potentials
by: Gherib, Rami, et al.
Published: (2024)

Regularized relativistic corrections for polyelectronic and polyatomic systems with explicitly correlated Gaussians
by: Rácsai, Balázs, et al.
Published: (2024)

Twin-Space Representation of Classical Mapping Model in the Constraint Phase Space Representation: Numerically Exact Approach to Open Quantum Systems
by: Zhang, Jiaji, et al.
Published: (2025)

Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation
by: Chakraborty, Rahul, et al.
Published: (2024)

Basis set generation and optimization in the NISQ era with Quiqbox.jl
by: Wang, Weishi, et al.
Published: (2022)

Disorder-induced non-Gaussian states in large ensembles of cavity-coupled molecules
by: Schwengelbeck, R., et al.
Published: (2026)

Thawed Gaussian wave packet dynamics: a critical assessment of three propagation schemes
by: Ryabinkin, Ilya G., et al.
Published: (2024)

All-order relativistic computations for atoms and molecules using an explicitly correlated Gaussian basis
by: Jeszenszki, Péter, et al.
Published: (2021)