On the rank-reduced relativistic coupled cluster method
Fuente:
arXiv
Saved in:
| Main Authors: | Oleynichenko, Alexander V., Rumiantsev, Artem S., Zaitsevskii, Andrei, Eliav, Ephraim |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Optical cycling in charged complexes with Ra-N bonds
by: Isaev, Timur, et al.
Published: (2023)
by: Isaev, Timur, et al.
Published: (2023)
Finite-order method to calculate approximate density matrices in the Fock-space multireference coupled cluster theory
by: Oleynichenko, Alexander V., et al.
Published: (2024)
by: Oleynichenko, Alexander V., et al.
Published: (2024)
Compound-tunable embedding potential method to model local electronic excitations on $f$-element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO$_4$
by: Oleynichenko, Alexander V., et al.
Published: (2023)
by: Oleynichenko, Alexander V., et al.
Published: (2023)
Ab initio study of electronic states and radiative properties of the AcF molecule
by: Skripnikov, Leonid V., et al.
Published: (2023)
by: Skripnikov, Leonid V., et al.
Published: (2023)
Theoretical molecular spectroscopy of actinide compounds: The ThO molecule
by: Zaitsevskii, Andrei V., et al.
Published: (2023)
by: Zaitsevskii, Andrei V., et al.
Published: (2023)
The $a^3Σ^+$ state of KCs revisited: hyperfine structure analysis and potential refinement
by: Krumins, V., et al.
Published: (2022)
by: Krumins, V., et al.
Published: (2022)
A relativistic coupled-cluster treatment of magnetic hyperfine structure of the $X^2Π$ and $A^2Σ^+$ states of OH isotopologues
by: Usov, D. P., et al.
Published: (2025)
by: Usov, D. P., et al.
Published: (2025)
Accurate neural-network-based fitting of full-dimensional two-body potential energy surfaces
by: Finenko, Artem
Published: (2022)
by: Finenko, Artem
Published: (2022)
The Use of Wigner Expansion and Path Integral Method for Quantum Correction of the Low-Order Spectral Moments and Collision-Induced Absorption Profiles
by: Chistikov, Daniil N., et al.
Published: (2025)
by: Chistikov, Daniil N., et al.
Published: (2025)
Modeling formation and transport of clusters at high temperature and pressure gradients by implying partial chemical equilibrium
by: Stepanov, Eugene V., et al.
Published: (2025)
by: Stepanov, Eugene V., et al.
Published: (2025)
Molecular influence on nuclear-quadrupole-coupling effects in laser induced alignment
by: Thesing, Linda V., et al.
Published: (2024)
by: Thesing, Linda V., et al.
Published: (2024)
Dipole-quadrupole coupling in triplet exciton-polaron quenching in a phosphorescent OLED emission layer
by: van Hoesel, Clint, et al.
Published: (2025)
by: van Hoesel, Clint, et al.
Published: (2025)
Structures and stabilities of mixed clusters of fullerene and coronene molecules
by: Florin, Naemi, et al.
Published: (2024)
by: Florin, Naemi, et al.
Published: (2024)
Real-time tracking the energy flow in cluster formation
by: Stadlhofer, Michael, et al.
Published: (2024)
by: Stadlhofer, Michael, et al.
Published: (2024)
Hydrogen-atom roaming reactions in water clusters: Unveiling an unusual dimension of water reactivity through first-principles calculations and machine learning
by: Liu, Rui, et al.
Published: (2026)
by: Liu, Rui, et al.
Published: (2026)
Bond breaking and making in mixed clusters of fullerene and coronene molecules following keV-ion impact
by: Florin, Naemi, et al.
Published: (2024)
by: Florin, Naemi, et al.
Published: (2024)
First close-coupling study of the excitation of a large cyclic molecule: collision of c-C5H6 with He
by: Demes, Sándor, et al.
Published: (2024)
by: Demes, Sándor, et al.
Published: (2024)
Imaging transient molecular configurations in UV-excited diiodomethane
by: Venkatachalam, Anbu Selvam, et al.
Published: (2025)
by: Venkatachalam, Anbu Selvam, et al.
Published: (2025)
A computationally efficient subspace harmonic relaxation algorithm for coarse-graining of molecular systems with nearly exact thermodynamic consistency
by: Pimentel, João V. M., et al.
Published: (2025)
by: Pimentel, João V. M., et al.
Published: (2025)
SCULPT: An Interactive Machine Learning Platform for Analyzing Multi-Particle Coincidence Data from Cold Target Recoil Ion Momentum Spectroscopy
by: Daoud, Hazem, et al.
Published: (2025)
by: Daoud, Hazem, et al.
Published: (2025)
Towards the "puzzle" of Chromium dimer Cr$_2$: predicting the Born-Oppenheimer rovibrational spectrum
by: Olivares-Pilón, Horacio, et al.
Published: (2024)
by: Olivares-Pilón, Horacio, et al.
Published: (2024)
Conjugation in hydrogen-bonded systems
by: Novakovskaya, Yulia V.
Published: (2012)
by: Novakovskaya, Yulia V.
Published: (2012)
Quantum rotor in a two-dimensional mesoscopic Bose gas
by: Suchorowski, Michał, et al.
Published: (2024)
by: Suchorowski, Michał, et al.
Published: (2024)
Size effect in correlation-driven charge migration in correlation bands of alkyne chains
by: Belles, Enguerran, et al.
Published: (2023)
by: Belles, Enguerran, et al.
Published: (2023)
Electron Impact Fragmentation Dynamics of Carbonyl Sulfide: A Combined Experimental and Theoretical Study
by: Ghosh, Soumya, et al.
Published: (2025)
by: Ghosh, Soumya, et al.
Published: (2025)
Direct three-body atom recombination: halogen atoms
by: Koots, Rian, et al.
Published: (2025)
by: Koots, Rian, et al.
Published: (2025)
Study of low-energy electron-induced dissociation of 1-Propanol
by: Ghosh, Soumya, et al.
Published: (2025)
by: Ghosh, Soumya, et al.
Published: (2025)
Accurate Determination of Blackbody Radiation Shifts in a Strontium Molecular Lattice Clock
by: Iritani, B., et al.
Published: (2023)
by: Iritani, B., et al.
Published: (2023)
Fluorescence and Relaxation Dynamics of Cesium in Argon Matrices: Multiple Trapping Sites and Host-Guest Interactions
by: Lahs, S., et al.
Published: (2026)
by: Lahs, S., et al.
Published: (2026)
Interplay of protection and damage through intermolecular processes in the decay of electronic core holes in microsolvated organic molecules
by: Bloß, Dana, et al.
Published: (2024)
by: Bloß, Dana, et al.
Published: (2024)
Shift of nanodroplet and nanocluster size distributions induced by dopant pick-up statistics
by: Riddle, Marie, et al.
Published: (2025)
by: Riddle, Marie, et al.
Published: (2025)
σ/π character of H-bonding in water clusters
by: Bedniakov, Aleksandr S., et al.
Published: (2024)
by: Bedniakov, Aleksandr S., et al.
Published: (2024)
Controlled molecule injector for cold, dense, and pure molecular beams at the European x-ray free-electron laser
by: He, Lanhai, et al.
Published: (2024)
by: He, Lanhai, et al.
Published: (2024)
A Deep Learning Framework for the Electronic Structure of Water: Towards a Universal Model
by: Liang, Xinyuan, et al.
Published: (2025)
by: Liang, Xinyuan, et al.
Published: (2025)
Strong-field effects in the photo-induced dissociation of the hydrogen molecule on a silver nanoshell
by: Koval, Natalia E., et al.
Published: (2024)
by: Koval, Natalia E., et al.
Published: (2024)
Vibronic fine structure in the nitrogen 1s photoelectron spectra from Franck-Condon simulations II: Indoles
by: Wei, Minrui, et al.
Published: (2023)
by: Wei, Minrui, et al.
Published: (2023)
Franck-Condon Simulation of Vibrationally-Resolved X-ray Spectra for Diatomic Systems: Validation of Harmonic Approximation and Density Functional Theory
by: Zhang, Lu, et al.
Published: (2023)
by: Zhang, Lu, et al.
Published: (2023)
Theoretical Prediction of Low-Energy Experimental Photoelectron Spectra of Al$_n$Ni$^{-}$ Clusters (n=1-13)
by: Acioli, Paulo H.
Published: (2024)
by: Acioli, Paulo H.
Published: (2024)
All-Electron Molecular Tunnel Ionization Based on the Weak-Field Asymptotic Theory in the Integral Representation
by: Wahyutama, Imam S., et al.
Published: (2024)
by: Wahyutama, Imam S., et al.
Published: (2024)
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
by: Chang, Yi-Ping, et al.
Published: (2024)
by: Chang, Yi-Ping, et al.
Published: (2024)
Similar Items
-
Optical cycling in charged complexes with Ra-N bonds
by: Isaev, Timur, et al.
Published: (2023) -
Finite-order method to calculate approximate density matrices in the Fock-space multireference coupled cluster theory
by: Oleynichenko, Alexander V., et al.
Published: (2024) -
Compound-tunable embedding potential method to model local electronic excitations on $f$-element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO$_4$
by: Oleynichenko, Alexander V., et al.
Published: (2023) -
Ab initio study of electronic states and radiative properties of the AcF molecule
by: Skripnikov, Leonid V., et al.
Published: (2023) -
Theoretical molecular spectroscopy of actinide compounds: The ThO molecule
by: Zaitsevskii, Andrei V., et al.
Published: (2023)