Cover Image

Stochastic GW with the Orthogonalized Projector Augmented Wave Method

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Bazile, Dimitri, Nguyen, Minh, Kon, Yuji, Allen, Tucker, Neuhauser, Daniel
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

GW with hybrid functionals for large molecular systems
by: Allen, Tucker, et al.
Published: (2024)

StochasticGW-GPU: rapid quasi-particle energies for molecules beyond 10000 atoms
by: Thomas, Phillip S., et al.
Published: (2026)

Simulating Exciton Transport with Complex Absorbing Potentials
by: Bazile, Dimitri, et al.
Published: (2026)

Mixed Planewave and Localized Orbital Basis for Sparse-Stochastic Hybrid TDDFT
by: Chen, Kyle, et al.
Published: (2025)

Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid TDDFT Calculations
by: Sereda, Mykola, et al.
Published: (2024)

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

No more gap-shifting: Stochastic many-body-theory based TDHF for accurate theory of polymethine cyanine dyes
by: Bradbury, Nadine C., et al.
Published: (2024)

Environment-Induced Exciton Renormalization in the Photosystem II Reaction Center
by: Allen, Tucker, et al.
Published: (2026)

Efficient plane-wave approach to generalized Kohn-Sham density-functional theory of solids with mixed deterministic/stochastic exchange
by: Allen, Tucker, et al.
Published: (2025)

Stochastic Metholodgy Shows Molecular Interactions Protect 2D Polaritons
by: Bradbury, Nadine, et al.
Published: (2023)

Parameterized Attenuated Exchange for Generalized TDHF@$v_W$ Applications
by: Li, Barry Y., et al.
Published: (2025)

Mixed Stochastic-Deterministic Density Functional Theoretic Decomposition of Kubo-Greenwood Conductivities in the Projector Augmented Wave Formalism
by: Sharma, Vidushi, et al.
Published: (2025)

qs$GW$ quasiparticle and $GW$-BSE excitation energies of 133,885 molecules
by: Baum, Dario, et al.
Published: (2025)

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

Connection between $GW$ and Extended Coupled Cluster
by: Tölle, Johannes, et al.
Published: (2026)

Low-scaling GW algorithm applied to twisted transition-metal dichalcogenide heterobilayers
by: Graml, Maximilian, et al.
Published: (2023)

Proper Orthogonal Descriptors for Multi-element Chemical Systems
by: Nguyen, Ngoc-Cuong
Published: (2022)

Natural Orbital Non-Orthogonal Configuration Interaction
by: Graf, Daniel, et al.
Published: (2024)

Transfer learning of GW-Bethe-Salpeter Equation excitation energies
by: Baum, Dario, et al.
Published: (2025)

Self-consistent GW via conservation of spectral moments
by: Backhouse, Oliver J., et al.
Published: (2025)

Nonlocal van der Waals density functional made faster
by: Laikov, Dimitri N.
Published: (2025)

Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/$GW$ and Wave Function Methods
by: Knysh, Iryna, et al.
Published: (2024)

Beyond quasi-particle self-consistent $GW$ for molecules with vertex corrections
by: Förster, Arno
Published: (2024)

Solving multi-pole challenges in the GW100 benchmark enables precise low-scaling GW calculations
by: Schambeck, Mia, et al.
Published: (2024)

Relativistic fully self-consistent $GW$ for molecules: Total energies and ionization potentials
by: Abraham, Vibin, et al.
Published: (2024)

$GW$+2SOSEX self-energy made positive semi-definite
by: Bruneval, Fabien, et al.
Published: (2025)

Quasi-Particle Self-Consistent $GW$ for Molecules
by: Kaplan, F., et al.
Published: (2024)

All-Electron Relativistic Fully Self-Consistent $GW$ Study of Heteronuclear Actinide-Containing Diatomics
by: Adamski, Jacob, et al.
Published: (2026)

GW plus cumulant approach for predicting core-level shake-up satellites in large molecules
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)

All-electron BSE@GW method with Numeric Atom-Centered Orbitals for Extended Systems
by: Zhou, Ruiyi, et al.
Published: (2024)

Challenges with relativistic GW calculations in solids and molecules
by: Harsha, Gaurav, et al.
Published: (2024)

Unified MPI Parallelization of Wave Function Methods: iCIPT2 as a Showcase
by: Wang, Qingpeng, et al.
Published: (2026)

Formal O(N3) scaling GW calculations by block tensor decomposition for large molecule systems
by: Zhang, Yueyang, et al.
Published: (2025)

Global approximations to the error function of real argument for vectorized computation
by: Laikov, Dimitri N.
Published: (2025)

Multi-reference GW approximation for strongly correlated molecules
by: Wang, Yuqi, et al.
Published: (2026)

Energy Window Augmented Plane Waves Approach to Density Functional Theory
by: Goldstein, Garry
Published: (2024)

Geminal theory within the seniority formalism and bi-variational principle
by: De Baerdemacker, Stijn, et al.
Published: (2024)

GW space-time method: Energy band-gap of solid hydrogen
by: Azadi, Sam, et al.
Published: (2020)

Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
by: Alvertis, Antonios M., et al.
Published: (2024)