:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Aklilu, Yetmgeta, Varga, Kálmán
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Quantum Physics
Online Access:	https://arxiv.org/abs/2407.08619
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

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

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

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

Explicitly Correlated Gaussian Basis Approach to Periodic Systems
by: Varga, Kalman
Published: (2026)

Ab initio study of highly charged ion-induced Coulomb explosion imaging
by: Viveiros, Misa, et al.
Published: (2025)

Schrödinger equation with Pauli-Fierz Hamiltonian and double well potential as model of vibrationally enhanced tunneling for proton transfer in hydrogen bond
by: Sitnitsky, A. E.
Published: (2025)

Controlling molecular dynamics by exciting atoms in a cavity
by: Csehi, András, et al.
Published: (2024)

Quantum Simulation of the First-Quantized Pauli-Fierz Hamiltonian
by: Mukhopadhyay, Priyanka, et al.
Published: (2023)

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 study of hydrogen adsorption and scattering on graphene surfaces
by: Taylor, Samuel S., et al.
Published: (2024)

Effect of antiprotons on hydrogen-like ions in external magnetic fields
by: Anikin, A., et al.
Published: (2024)

Fault-tolerant quantum simulation of the Pauli-Breit Hamiltonian for ab initio hybrid quantum-classical molecular design with applications to photodynamic therapy
by: Zak, Emil
Published: (2026)

Hyperfine and Zeeman interactions in ultracold collisions of molecular hydrogen with atomic lithium
by: Jóźwiak, Hubert, et al.
Published: (2023)

Quantum effects of Coulomb explosion simulations revealed by time-dependent density-functional theory
by: Taylor, Samuel S., et al.
Published: (2024)

On the Hamiltonian used in Polaritonic Chemistry
by: Fiechter, Marit R., et al.
Published: (2025)

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

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

Semiclassical truncated-Wigner-approximation theory of molecular-vibration-polariton dynamics in optical cavities
by: Phuc, Nguyen Thanh
Published: (2023)

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

Coherent nonlinear optical probe for cavity-dressed vibrational mode mixing: multidimensional double-quantum coherence and photon-echo spectroscopy
by: Debnath, Arunangshu
Published: (2025)

Pauli propagation enables fast classical simulation of strongly correlated quantum systems
by: Shrikhande, Chinmay, et al.
Published: (2025)

Engineering molecular potential energy surfaces using magnetic cavity quantum electrodynamics
by: Weber, Lukas, et al.
Published: (2026)

Walking with the atoms in a chemical bond : A perspective using quantum phase transition
by: Kais, Sabre
Published: (2022)

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

Shot-Efficient ADAPT-VQE via Reused Pauli Measurements and Variance-Based Shot Allocation
by: Ikhtiarudin, Azhar, et al.
Published: (2025)

Collective rovibronic dynamics of a diatomic gas coupled by cavity
by: Krupp, Niclas, et al.
Published: (2024)

Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference
by: Ben-Asher, Anael, et al.
Published: (2024)

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

Quantum calculation of the collision-induced line-shape effects in antiprotonic helium and the new accurate ab initio $\bar{p}$He$^{+}$-He potential energy surface
by: Jóźwiak, Hubert J., et al.
Published: (2025)

A toolbox of spin-adapted generalized Pauli constraints
by: Liebert, Julia, et al.
Published: (2025)

An algorithm for atom-centered lossy compression of the atomic orbital basis in density functional theory calculations
by: Lara, Anthony O., et al.
Published: (2025)

Conditions for enhancement of chemical reactions in gas phase inside a dark cavity
by: Moiseyev, Nimrod
Published: (2024)

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

On the Feasibility of Exact Unitary Transformations for Many-body Hamiltonians
by: Jayakumar, Praveen, et al.
Published: (2025)

Trotter simulation of vibrational Hamiltonians on a quantum computer
by: Malpathak, Shreyas, et al.
Published: (2025)

Leveraging commuting groups for an efficient variational Hamiltonian ansatz
by: Anand, Abhinav, et al.
Published: (2023)

Simulating one hundred entangled atoms using projected-interacting full configuration interaction wavefunctions corrected by projected density functionals
by: Janesko, Benjamin G.
Published: (2025)

Hamiltonian-based graph-state ansatz for variational quantum algorithms
by: Anand, Abhinav, et al.
Published: (2023)

Resource-efficient Quantum Algorithms for Selected Hamiltonian Subspace Diagonalization
by: Graves, Vincent, et al.
Published: (2026)