Generalized nonorthogonal matrix elements for arbitrary excitations
Fuente:
arXiv
Guardado en:
| Autor principal: | Burton, Hugh G. A. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2022
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
por: Burton, Hugh G. A.
Publicado: (2025)
por: Burton, Hugh G. A.
Publicado: (2025)
Generalised Nonorthogonal Matrix Elements: Unifying Wick's Theorem and the Slater-Condon Rules
por: Burton, Hugh G. A.
Publicado: (2021)
por: Burton, Hugh G. A.
Publicado: (2021)
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
por: Burton, Hugh G. A.
Publicado: (2023)
por: Burton, Hugh G. A.
Publicado: (2023)
Excited state-specific CASSCF theory for the torsion of ethylene
por: Saade, Sandra, et al.
Publicado: (2024)
por: Saade, Sandra, et al.
Publicado: (2024)
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches
por: Marruzzo, Alessia, et al.
Publicado: (2025)
por: Marruzzo, Alessia, et al.
Publicado: (2025)
Spin-Generator Coordinate Method for Electronic Structure
por: Ayati, Amir, et al.
Publicado: (2025)
por: Ayati, Amir, et al.
Publicado: (2025)
Excited state preparation on a quantum computer through adiabatic light-matter coupling
por: Burton, Hugh G. A., et al.
Publicado: (2025)
por: Burton, Hugh G. A., et al.
Publicado: (2025)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
por: Burton, Hugh G. A., et al.
Publicado: (2023)
por: Burton, Hugh G. A., et al.
Publicado: (2023)
Spin-coupled molecular orbitals: chemical intuition meets quantum chemistry
por: Marti-Dafcik, Daniel, et al.
Publicado: (2024)
por: Marti-Dafcik, Daniel, et al.
Publicado: (2024)
Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers
por: Marti-Dafcik, Daniel, et al.
Publicado: (2024)
por: Marti-Dafcik, Daniel, et al.
Publicado: (2024)
Electronic matrix elements for parity doubling in YbOH molecule
por: Petrov, Alexander
Publicado: (2023)
por: Petrov, Alexander
Publicado: (2023)
Generalized coupled cluster theory for ground and excited state intersections
por: Rossi, Federico, et al.
Publicado: (2024)
por: Rossi, Federico, et al.
Publicado: (2024)
Convex envelope method for T, p flash calculations for mixtures with an arbitrary number of components and arbitrary aggregate states
por: Göttl, Quirin, et al.
Publicado: (2025)
por: Göttl, Quirin, et al.
Publicado: (2025)
Accurate core-excited states via inclusion of core triple excitations in similarity-transformed EOM theory
por: Simons, Megan, et al.
Publicado: (2022)
por: Simons, Megan, et al.
Publicado: (2022)
Low-rank compression of two-electron reduced density matrices
por: Atalar, Kemal, et al.
Publicado: (2026)
por: Atalar, Kemal, et al.
Publicado: (2026)
Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
por: Bogo, Nicola, et al.
Publicado: (2024)
por: Bogo, Nicola, et al.
Publicado: (2024)
An excitation matched local correlation approach to excited state specific perturbation theory
por: Clune, Rachel, et al.
Publicado: (2025)
por: Clune, Rachel, et al.
Publicado: (2025)
Non-adiabatic coupling matrix elements in a magnetic field: geometric gauge dependence and Berry phase
por: Culpitt, Tanner, et al.
Publicado: (2024)
por: Culpitt, Tanner, et al.
Publicado: (2024)
State-specific density functionals for excited states from ensembles
por: Gould, Tim, et al.
Publicado: (2024)
por: Gould, Tim, et al.
Publicado: (2024)
Richardson-Gaudin states of non-zero seniority I: matrix elements
por: Johnson, Paul A.
Publicado: (2025)
por: Johnson, Paul A.
Publicado: (2025)
Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations
por: Shepard, Stuart, et al.
Publicado: (2025)
por: Shepard, Stuart, et al.
Publicado: (2025)
Local density approximation for excited states
por: Gould, Tim, et al.
Publicado: (2023)
por: Gould, Tim, et al.
Publicado: (2023)
Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone
por: Bennett, Olivia, et al.
Publicado: (2024)
por: Bennett, Olivia, et al.
Publicado: (2024)
Theoretical study of the excitation function in the CN + C2H6 hydrogen transfer reaction. Effect of vibrational excitation
por: Espinosa-Garcia, Joaquin, et al.
Publicado: (2024)
por: Espinosa-Garcia, Joaquin, et al.
Publicado: (2024)
Improved boundary homogenization for a sphere with an absorbing cap of arbitrary size
por: Grebenkov, Denis S.
Publicado: (2025)
por: Grebenkov, Denis S.
Publicado: (2025)
Understanding inner-shell excitations in molecules through spectroscopy of the 4f hole states of YbF
por: Popa, S., et al.
Publicado: (2024)
por: Popa, S., et al.
Publicado: (2024)
Optimal transport distances to characterise electronic excitations
por: Lieberherr, Annina Z., et al.
Publicado: (2023)
por: Lieberherr, Annina Z., et al.
Publicado: (2023)
MesoHops: Size-invariant scaling calculations of multi-excitation open quantum systems
por: Citty, Brian, et al.
Publicado: (2024)
por: Citty, Brian, et al.
Publicado: (2024)
Analytic gradients for equation-of-motion coupled cluster with single, double, and perturbative triple excitations
por: Zhao, Tingting, et al.
Publicado: (2024)
por: Zhao, Tingting, et al.
Publicado: (2024)
Free-particle Green's function matrix elements over spherical Gaussian and plane-wave-modulated Gaussian basis functions
por: Mahato, Dibyendu, et al.
Publicado: (2026)
por: Mahato, Dibyendu, et al.
Publicado: (2026)
Linear and nonlinear vibrational excitation driven by molecular polaritons
por: Ying, Wenxiang, et al.
Publicado: (2026)
por: Ying, Wenxiang, et al.
Publicado: (2026)
Chiral polaritonics: cavity-mediated enantioselective excitation condensation
por: Riso, Rosario R., et al.
Publicado: (2024)
por: Riso, Rosario R., et al.
Publicado: (2024)
Transfer learning of GW-Bethe-Salpeter Equation excitation energies
por: Baum, Dario, et al.
Publicado: (2025)
por: Baum, Dario, et al.
Publicado: (2025)
Shadow excited state molecular dynamics with the \DeltaSCF method
por: Fajen, O. Jonathan, et al.
Publicado: (2025)
por: Fajen, O. Jonathan, et al.
Publicado: (2025)
Ultrafast electron diffractive imaging of the dissociation of pre-excited molecules
por: Xiong, Yanwei, et al.
Publicado: (2025)
por: Xiong, Yanwei, et al.
Publicado: (2025)
Unimolecular processes in diatomic carbon anions at high rotational excitation
por: Schmidt, Viviane C., et al.
Publicado: (2024)
por: Schmidt, Viviane C., et al.
Publicado: (2024)
Multistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired, state-averaged approach to ground- and excited-state energies
por: Lang, Robert A., et al.
Publicado: (2025)
por: Lang, Robert A., et al.
Publicado: (2025)
Optimizing EPR pulses for broadband excitation and refocusing
por: Lowe, Eric R., et al.
Publicado: (2024)
por: Lowe, Eric R., et al.
Publicado: (2024)
Vibrational coherences in half-broadband 2D electronic spectroscopy: spectral filtering to identify excited state displacements
por: Green, Dale, et al.
Publicado: (2024)
por: Green, Dale, et al.
Publicado: (2024)
Stationary conditions for excited states: the surprising impact of density-driven correlations
por: Gould, Tim
Publicado: (2024)
por: Gould, Tim
Publicado: (2024)
Ejemplares similares
-
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
por: Burton, Hugh G. A.
Publicado: (2025) -
Generalised Nonorthogonal Matrix Elements: Unifying Wick's Theorem and the Slater-Condon Rules
por: Burton, Hugh G. A.
Publicado: (2021) -
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
por: Burton, Hugh G. A.
Publicado: (2023) -
Excited state-specific CASSCF theory for the torsion of ethylene
por: Saade, Sandra, et al.
Publicado: (2024) -
Extension of the Jordan-Wigner mapping to nonorthogonal spin orbitals for quantum computing application to valence bond approaches
por: Marruzzo, Alessia, et al.
Publicado: (2025)