A new family of seniority-restricted coupled cluster methods
Fuente:
arXiv
Saved in:
| Main Authors: | Miranda-Quintana, Ramón Alain, Lokhande, Rugwed, de Moura, Carlos E. V., Zsigmond, Krisztina, Ayers, Paul W. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Exploring new construction schemes for extended-hierarchy CI (ehCI) wavefunctions
by: Lokhande, Rugwed A., et al.
Published: (2025)
by: Lokhande, Rugwed A., et al.
Published: (2025)
Geminal wavefunction models in chemistry
by: Gaikwad, Pratiksha, et al.
Published: (2026)
by: Gaikwad, Pratiksha, et al.
Published: (2026)
Baker-Campbell-Hausdorff expansion in creation-only coupled cluster
by: Miranda-Quintana, Ramón Alain
Published: (2025)
by: Miranda-Quintana, Ramón Alain
Published: (2025)
An "ultimate" coupled cluster method based entirely on $T_2$
by: Windom, Zachary W., et al.
Published: (2024)
by: Windom, Zachary W., et al.
Published: (2024)
Time-dependent orbital-optimized coupled-cluster methods families for fermion-mixtures dynamics
by: Lang, Haifeng, et al.
Published: (2024)
by: Lang, Haifeng, et al.
Published: (2024)
Seniority-zero Quadratic Canonical Transformation Theory
by: Calero-Osorio, Daniel F., et al.
Published: (2026)
by: Calero-Osorio, Daniel F., et al.
Published: (2026)
Seniority-Zero Canonical Transformation Theory: Reducing Truncation Error with Late Truncation
by: Calero-Osorio, Daniel F., et al.
Published: (2025)
by: Calero-Osorio, Daniel F., et al.
Published: (2025)
Seniority-zero Linear Canonical Transformation Theory
by: Calero-Osorio, Daniel F., et al.
Published: (2025)
by: Calero-Osorio, Daniel F., et al.
Published: (2025)
Foundation for the ΔSCF Approach in Density Functional Theory
by: Yang, Weitao, et al.
Published: (2024)
by: Yang, Weitao, et al.
Published: (2024)
On the rank-reduced relativistic coupled cluster method
by: Oleynichenko, Alexander V., et al.
Published: (2025)
by: Oleynichenko, Alexander V., et al.
Published: (2025)
Relativistic unitary coupled cluster method for ground-state molecular properties
by: Majee, Kamal, et al.
Published: (2025)
by: Majee, Kamal, et al.
Published: (2025)
Aufbau suppressed coupled cluster as a post-linear-response method
by: Quady, Trine Kay, et al.
Published: (2025)
by: Quady, Trine Kay, et al.
Published: (2025)
Richardson-Gaudin states of non-zero seniority II: Single-reference treatment of strong correlation
by: Johnson, Paul A.
Published: (2025)
by: Johnson, Paul A.
Published: (2025)
The coherent-state transformation in quantum electrodynamics coupled cluster theory
by: Fischer, Eric W.
Published: (2026)
by: Fischer, Eric W.
Published: (2026)
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)
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)
by: Windom, Zachary W., et al.
Published: (2024)
The $S$-diagnostic -- an a posteriori error assessment for single-reference coupled-cluster methods
by: Faulstich, Fabian M., et al.
Published: (2023)
by: Faulstich, Fabian M., et al.
Published: (2023)
General-order open-shell coupled-cluster method with partial spin adaptation I: formulations
by: Wang, Cong
Published: (2024)
by: Wang, Cong
Published: (2024)
Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms
by: Kumar, Ashutosh, et al.
Published: (2020)
by: Kumar, Ashutosh, et al.
Published: (2020)
Frozen natural spinors for Cholesky decomposition based two-component relativistic coupled cluster method
by: Chamoli, Somesh, et al.
Published: (2024)
by: Chamoli, Somesh, et al.
Published: (2024)
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-Ray Photoelectron Spectra
by: de Moura, Carlos E. V., et al.
Published: (2024)
by: de Moura, Carlos E. V., et al.
Published: (2024)
Homotopy continuation methods for coupled-cluster theory in quantum chemistry
by: Faulstich, Fabian M., et al.
Published: (2023)
by: Faulstich, Fabian M., et al.
Published: (2023)
Configuration weights in coupled-cluster theory
by: Kristiansen, Håkon Emil, et al.
Published: (2024)
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)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Analysis of fourth-, fifth-, and infinite-order triple excitations in unitary coupled cluster theory
by: Windom, Zachary W., et al.
Published: (2025)
by: Windom, Zachary W., et al.
Published: (2025)
Diagrams and symmetry in polaritonic coupled cluster theory
by: Monzel, Laurenz, et al.
Published: (2024)
by: Monzel, Laurenz, et al.
Published: (2024)
Richardson-Gaudin states of non-zero seniority I: matrix elements
by: Johnson, Paul A.
Published: (2025)
by: Johnson, Paul A.
Published: (2025)
A reduced-cost two-component relativistic equation-of-motion coupled cluster method for the double electron attachment problem
by: Mandal, Sujan, et al.
Published: (2026)
by: Mandal, Sujan, et al.
Published: (2026)
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)
by: Liu, Junzi, et al.
Published: (2021)
Toward an affordable density-based measure for the quality of a coupled cluster calculation
by: Jones, Gregory H., et al.
Published: (2025)
by: Jones, Gregory H., et al.
Published: (2025)
Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
by: Johnson, Paul A.
Published: (2026)
by: Johnson, Paul A.
Published: (2026)
DMRG-tailored coupled cluster method in the 4c-relativistic domain: General implementation and application to the NUHFI and NUF$_3$ molecules
by: Višňák, Jakub, et al.
Published: (2024)
by: Višňák, Jakub, et al.
Published: (2024)
Unexpected hydrogen dissociation in thymine: predictions from a novel coupled cluster theory
by: Kjønstad, Eirik F., et al.
Published: (2024)
by: Kjønstad, Eirik F., et al.
Published: (2024)
Geminal theory within the seniority formalism and bi-variational principle
by: De Baerdemacker, Stijn, et al.
Published: (2024)
by: De Baerdemacker, Stijn, et al.
Published: (2024)
An attractive way to correct for missing singles excitations in unitary coupled cluster doubles theory
by: Windom, Zachary W., et al.
Published: (2024)
by: Windom, Zachary W., et al.
Published: (2024)
Auxiliary-field quantum Monte Carlo method with seniority-zero trial wave function
by: Yoshida, Yuichiro, et al.
Published: (2025)
by: Yoshida, Yuichiro, et al.
Published: (2025)
General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results
by: Wang, Cong
Published: (2024)
by: Wang, Cong
Published: (2024)
Generalized coupled cluster theory for ground and excited state intersections
by: Rossi, Federico, et al.
Published: (2024)
by: Rossi, Federico, et al.
Published: (2024)
Accurate molecular polarizabilities with coupled-cluster theory and machine learning
by: Wilkins, David M., et al.
Published: (2018)
by: Wilkins, David M., et al.
Published: (2018)
Stochastically accelerated perturbative triples correction in coupled cluster calculations
by: Damour, Yann, et al.
Published: (2024)
by: Damour, Yann, et al.
Published: (2024)
Similar Items
-
Exploring new construction schemes for extended-hierarchy CI (ehCI) wavefunctions
by: Lokhande, Rugwed A., et al.
Published: (2025) -
Geminal wavefunction models in chemistry
by: Gaikwad, Pratiksha, et al.
Published: (2026) -
Baker-Campbell-Hausdorff expansion in creation-only coupled cluster
by: Miranda-Quintana, Ramón Alain
Published: (2025) -
An "ultimate" coupled cluster method based entirely on $T_2$
by: Windom, Zachary W., et al.
Published: (2024) -
Time-dependent orbital-optimized coupled-cluster methods families for fermion-mixtures dynamics
by: Lang, Haifeng, et al.
Published: (2024)