Saved in:
| Main Authors: | Adamski, Jacob, Abraham, Vibin, Zgid, Dominika |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2605.31571 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Relativistic fully self-consistent $GW$ for molecules: Total energies and ionization potentials
by: Abraham, Vibin, et al.
Published: (2024)
by: Abraham, Vibin, et al.
Published: (2024)
Challenges with relativistic GW calculations in solids and molecules
by: Harsha, Gaurav, et al.
Published: (2024)
by: Harsha, Gaurav, et al.
Published: (2024)
Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
by: Harsha, Gaurav, et al.
Published: (2024)
by: Harsha, Gaurav, et al.
Published: (2024)
Comparing self-consistent GW and vertex corrected G0W0 (G0W0Γ) accuracy for molecular ionization potentials
by: Wen, Ming, et al.
Published: (2023)
by: Wen, Ming, et al.
Published: (2023)
Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis
by: Wen, Ming, et al.
Published: (2026)
by: Wen, Ming, et al.
Published: (2026)
Tensor hypercontraction for self-consistent vertex corrected GW with static and dynamic screening; applications to molecules and solids with superexchange
by: Pokhilko, Pavel, et al.
Published: (2024)
by: Pokhilko, Pavel, et al.
Published: (2024)
Self-consistent vertex corrected $GW$ with static and dynamic screening using tensor hypercontraction: assessment of molecular ionization potentials
by: Wang, Munkhorgil, et al.
Published: (2026)
by: Wang, Munkhorgil, et al.
Published: (2026)
Natural orbitals and two-particle correlators as tools for analysis of effective exchange couplings in solids
by: Pokhilko, Pavel, et al.
Published: (2023)
by: Pokhilko, Pavel, et al.
Published: (2023)
Homotopy continuation method for solving Dyson equation fully self-consistently: theory and application to NdNiO2
by: Pokhilko, Pavel, et al.
Published: (2025)
by: Pokhilko, Pavel, et al.
Published: (2025)
Quasi-Particle Self-Consistent $GW$ for Molecules
by: Kaplan, F., et al.
Published: (2024)
by: Kaplan, F., et al.
Published: (2024)
Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: theory, implementation, and role of the Green's function second-order exchange for intermolecular interactions
by: Pokhilko, Pavel, et al.
Published: (2024)
by: Pokhilko, Pavel, et al.
Published: (2024)
Chemically decisive benchmarks on the path to quantum utility
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)
Relativistic Embedded Equation-of-Motion Coupled-Cluster Approach to the Core-Ionized States of Actinides: A Case Study of Uranyl(VI) in Cs$_2$UO$_2$Cl$_4$
by: Misael, Wilken Aldair, et al.
Published: (2024)
by: Misael, Wilken Aldair, et al.
Published: (2024)
All-electron BSE@GW method with Numeric Atom-Centered Orbitals for Extended Systems
by: Zhou, Ruiyi, et al.
Published: (2024)
by: Zhou, Ruiyi, et al.
Published: (2024)
qs$GW$ quasiparticle and $GW$-BSE excitation energies of 133,885 molecules
by: Baum, Dario, et al.
Published: (2025)
by: Baum, Dario, et al.
Published: (2025)
Steady-State Free Precession NMR in the Presence of Heteronuclear Couplings and Decoupling: More Than Meets the Eye
by: Jayanthi, Sundaresan, et al.
Published: (2025)
by: Jayanthi, Sundaresan, et al.
Published: (2025)
Relativistic Two-Electron Contributions within Exact Two-Component Theory
by: Wang, Xubo, et al.
Published: (2025)
by: Wang, Xubo, et al.
Published: (2025)
Self-consistent GW via conservation of spectral moments
by: Backhouse, Oliver J., et al.
Published: (2025)
by: Backhouse, Oliver J., et al.
Published: (2025)
Connection between $GW$ and Extended Coupled Cluster
by: Tölle, Johannes, et al.
Published: (2026)
by: Tölle, Johannes, et al.
Published: (2026)
GW with hybrid functionals for large molecular systems
by: Allen, Tucker, et al.
Published: (2024)
by: Allen, Tucker, et al.
Published: (2024)
Electron transfer in confined electromagnetic fields: a unified Fermi's golden rule rate theory and extension to lossy cavities
by: Ying, Wenxiang, et al.
Published: (2025)
by: Ying, Wenxiang, et al.
Published: (2025)
Stochastic GW with the Orthogonalized Projector Augmented Wave Method
by: Bazile, Dimitri, et al.
Published: (2026)
by: Bazile, Dimitri, et al.
Published: (2026)
Unitary Coupled-Cluster based Self-Consistent Electron Propagator Theory for Electron-Detached and Electron-Attached States: A Quadratic Unitary Coupled-Cluster Singles and Doubles Method and Benchmark Calculations
by: Zhang, Yu, et al.
Published: (2025)
by: Zhang, Yu, et al.
Published: (2025)
Fully Polarizable Multiconfigurational Self-consistent Field/Fluctuating Charge Approach
by: Sepali, Chiara, et al.
Published: (2024)
by: Sepali, Chiara, et al.
Published: (2024)
Optical Cycling and Sensitivity to the Electron's Electric Dipole Moment in Gold-Containing Molecules
by: Stuntz, K. Cooper, et al.
Published: (2024)
by: Stuntz, K. Cooper, et al.
Published: (2024)
Transfer learning of GW-Bethe-Salpeter Equation excitation energies
by: Baum, Dario, et al.
Published: (2025)
by: Baum, Dario, et al.
Published: (2025)
Solving multi-pole challenges in the GW100 benchmark enables precise low-scaling GW calculations
by: Schambeck, Mia, et al.
Published: (2024)
by: Schambeck, Mia, et al.
Published: (2024)
Inclusion of Three-body Correction to Relativistic Equation-of-Motion Coupled Cluster Method: The Application to Electron Detachment Problem
by: Thapa, Mrinal, et al.
Published: (2026)
by: Thapa, Mrinal, et al.
Published: (2026)
Resolving the Marcus-Rehm-Weller Paradox in Electron Transfer
by: Abraham, Ethan
Published: (2025)
by: Abraham, Ethan
Published: (2025)
Efficient All-Electron Periodic Fourier-Transformed Coulomb Method
by: Dinh, Hieu Q., et al.
Published: (2025)
by: Dinh, Hieu Q., et al.
Published: (2025)
Self-Consistent Equations for Nonempirical Tight Binding Theory
by: Mironenko, Alexander V.
Published: (2022)
by: Mironenko, Alexander V.
Published: (2022)
Beyond quasi-particle self-consistent $GW$ for molecules with vertex corrections
by: Förster, Arno
Published: (2024)
by: Förster, Arno
Published: (2024)
Low-scaling GW algorithm applied to twisted transition-metal dichalcogenide heterobilayers
by: Graml, Maximilian, et al.
Published: (2023)
by: Graml, Maximilian, et al.
Published: (2023)
Relativistic Complete Active Space Self-consistent-Field Method with a Hierarchy of Exact Two-Component Hamiltonians
by: Wang, Xubo, et al.
Published: (2026)
by: Wang, Xubo, et al.
Published: (2026)
$GW$+2SOSEX self-energy made positive semi-definite
by: Bruneval, Fabien, et al.
Published: (2025)
by: Bruneval, Fabien, et al.
Published: (2025)
On the Geometry Dependence of the NMR Chemical Shift of Mercury in Thiolate Complexes: A Relativistic DFT Study
by: Wu, Haide, et al.
Published: (2023)
by: Wu, Haide, et al.
Published: (2023)
Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein-de Haas
by: Peng, Linqing, et al.
Published: (2025)
by: Peng, Linqing, et al.
Published: (2025)
Quantum Statistical Mechanics of Electronically Open Molecules: Reduced Density Operators
by: Pedersen, Jacob, et al.
Published: (2025)
by: Pedersen, Jacob, et al.
Published: (2025)
GW plus cumulant approach for predicting core-level shake-up satellites in large molecules
by: Kockläuner, Jannis, et al.
Published: (2024)
by: Kockläuner, Jannis, et al.
Published: (2024)
Calculation and analysis of exciton couplings via a subsystem formulation of the $GW$-Bethe-Salpeter Equation
by: Khandavilli, Sarathchandra, et al.
Published: (2025)
by: Khandavilli, Sarathchandra, et al.
Published: (2025)
Similar Items
-
Relativistic fully self-consistent $GW$ for molecules: Total energies and ionization potentials
by: Abraham, Vibin, et al.
Published: (2024) -
Challenges with relativistic GW calculations in solids and molecules
by: Harsha, Gaurav, et al.
Published: (2024) -
Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
by: Harsha, Gaurav, et al.
Published: (2024) -
Comparing self-consistent GW and vertex corrected G0W0 (G0W0Γ) accuracy for molecular ionization potentials
by: Wen, Ming, et al.
Published: (2023) -
Dynamically Corrected Bethe-Salpeter Equation Solver for Self-consistent $GW$ Reference on the Matsubara Frequency Axis
by: Wen, Ming, et al.
Published: (2026)