Cover Image

A CPD-enabled low-scaling environment solver in a coupled cluster based static quantum embedding theory

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Pierce, Karl, Aziz, Muhammad Talha, Shee, Avijit, Faulstich, Fabian M.
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

A static quantum embedding scheme based on coupled cluster theory
by: Shee, Avijit, et al.
Published: (2024)

Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory
by: Shee, Avijit, et al.
Published: (2026)

Homotopy continuation methods for coupled-cluster theory in quantum chemistry
by: Faulstich, Fabian M., et al.
Published: (2023)

Recent mathematical advances in coupled cluster theory
by: Faulstich, Fabian M.
Published: (2024)

Coupled cluster theory: Towards an algebraic geometry formulation
by: Faulstich, Fabian M., et al.
Published: (2022)

The $S$-diagnostic -- an a posteriori error assessment for single-reference coupled-cluster methods
by: Faulstich, Fabian M., et al.
Published: (2023)

Exploring Ground and Excited States via Single Reference Coupled-Cluster Theory and Algebraic Geometry
by: Sverrisdóttir, Svala, et al.
Published: (2024)

Algebraic Geometry for Spin-Adapted Coupled Cluster Theory
by: Faulstich, Fabian M., et al.
Published: (2026)

The coherent-state transformation in quantum electrodynamics coupled cluster theory
by: Fischer, Eric W.
Published: (2026)

Towards Using Matrix-Free Tensor Decompositions to Systematically Improve Approximate Tensor-Networks
by: Pierce, Karl
Published: (2025)

Algebraic Varieties in Quantum Chemistry
by: Faulstich, Fabian, et al.
Published: (2023)

Analytical evaluation of ground state gradients in quantum electrodynamics coupled cluster theory
by: Lexander, Marcus Takvam, et al.
Published: (2024)

Real-time propagation of adaptive sampling selected configuration interaction wave function
by: Shee, Avijit, et al.
Published: (2024)

Configuration weights in coupled-cluster theory
by: Kristiansen, Håkon Emil, et al.
Published: (2024)

Coupled cluster theory for nonadiabatic dynamics: nuclear gradients and nonadiabatic couplings in similarity constrained coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)

A low-cost four-component relativistic coupled cluster linear response theory based on perturbation sensitive natural spinors
by: Chakraborty, Sudipta, et al.
Published: (2025)

Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters?
by: Kjønstad, Eirik F., et al.
Published: (2026)

Diagrams and symmetry in polaritonic coupled cluster theory
by: Monzel, Laurenz, et al.
Published: (2024)

Unitary coupled-cluster based self-consistent polarization propagator theory: a quadratic unitary coupled-cluster singles and doubles scheme
by: Liu, Junzi, et al.
Published: (2021)

Using Matrix-Free Tensor-Network Optimizations to Construct a Reduced-Scaling and Robust Second-Order Møller-Plesset Theory
by: Pierce, Karl, et al.
Published: (2025)

QMeCha: quantum Monte Carlo package for fermions in embedding environments
by: Barborini, Matteo, et al.
Published: (2025)

Accurate molecular polarizabilities with coupled-cluster theory and machine learning
by: Wilkins, David M., et al.
Published: (2018)

Toward the "platinum standard" of quantum chemistry on quantum computers: perturbative quadruple corrections in unitary coupled cluster theory
by: Windom, Zachary W., et al.
Published: (2025)

Ab initio treatment of molecular Coster-Kronig decay using complex-scaled equation-of-motion coupled-cluster theory
by: Drennhaus, Jan Philipp, et al.
Published: (2024)

Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, 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)

Equation-of-motion internally contracted multireference unitary coupled-cluster theory
by: Li, Shuhang, et al.
Published: (2025)

A new "gold standard": perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing
by: Windom, Zachary W., et al.
Published: (2024)

Kohn-Sham density encoding rescues coupled cluster theory for strongly correlated molecules
by: Zamani, Abdulrahman Y., et al.
Published: (2026)

Random phase approximation-based local natural orbital coupled cluster theory
by: Song, Ruiheng, et al.
Published: (2025)

Multi-reference coupled cluster theory using the normal ordered exponential ansatz
by: Gunasekera, Alexander, et al.
Published: (2024)

An "ultimate" coupled cluster method based entirely on $T_2$
by: Windom, Zachary W., et al.
Published: (2024)

Robust approximation of tensor networks: application to grid-free tensor factorization of the Coulomb interaction
by: Pierce, Karl, et al.
Published: (2020)

Analysis of fourth-, fifth-, and infinite-order triple excitations in unitary coupled cluster theory
by: Windom, Zachary W., et al.
Published: (2025)

Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)

Strong coupling quantum electrodynamics Hartree-Fock response theory
by: Castagnola, Matteo, et al.
Published: (2025)

Degenerate coupled-cluster theory
by: Hirata, So
Published: (2026)

Toward an affordable density-based measure for the quality of a coupled cluster calculation
by: Jones, Gregory H., et al.
Published: (2025)

A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, Implementation and Benchmark
by: Surjuse, Kshitijkumar, et al.
Published: (2022)

Synergistic integration of physical embedding and machine learning enabling precise and reliable force field
by: Xu, Lifeng, et al.
Published: (2024)