Simulation of the total energy of a triatomic silicon cluster in the first order of perturbation theory
Fuente:
arXiv
Saved in:
| Main Authors: | Koshcheev, V. P., Shtanov, Yu. N. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Formation of ultracold triatomic molecules by electric microwave association
by: Shammout, Baraa, et al.
Published: (2025)
by: Shammout, Baraa, et al.
Published: (2025)
Diagrammatic theory of the irreducible coupled-cluster self-energy
by: Coveney, Christopher J. N., et al.
Published: (2023)
by: Coveney, Christopher J. N., et al.
Published: (2023)
Multi-reference coupled cluster theory using the normal ordered exponential ansatz
by: Gunasekera, Alexander, et al.
Published: (2024)
by: Gunasekera, Alexander, et al.
Published: (2024)
Deeper-band electron contributions to stopping power of silicon for low-energy ions
by: Matias, F., et al.
Published: (2024)
by: Matias, F., et al.
Published: (2024)
Constrained nuclear-electronic orbital second-order Moller-Plesset perturbation theory
by: Tucker, Gabrielle B., et al.
Published: (2026)
by: Tucker, Gabrielle B., et al.
Published: (2026)
Simultaneous imaging of vibrational, rotational, and electronic wave packet dynamics in a triatomic molecule
by: Lam, Huynh Van Sa, et al.
Published: (2024)
by: Lam, Huynh Van Sa, et al.
Published: (2024)
Prediction of the inner-shell contribution to the correlation energy through DLPNO-CEPA/1 and Scaled same-spin second order Møller-Plesset perturbation theory
by: Sánchez, Hernán R.
Published: (2019)
by: Sánchez, Hernán R.
Published: (2019)
MADWAVE3: a quantum time dependent wave packet code for nonadiabatic state-to-state reaction dynamics of triatomic systems
by: Roncero, Octavio, et al.
Published: (2024)
by: Roncero, Octavio, et al.
Published: (2024)
Accurate prediction of K-edge excitation energies using state-specific self-consistent perturbation theory
by: Tran, Lan Nguyen
Published: (2026)
by: Tran, Lan Nguyen
Published: (2026)
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)
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)
Reduction of finite-size effects for second-order Møller-Plesset perturbation theory with singularity subtraction
by: Quiton, Stephen Jon, et al.
Published: (2026)
by: Quiton, Stephen Jon, et al.
Published: (2026)
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)
by: Windom, Zachary W., 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)
by: Windom, Zachary W., 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)
by: Chakraborty, Sudipta, et al.
Published: (2025)
Stochastically accelerated perturbative triples correction in coupled cluster calculations
by: Damour, Yann, et al.
Published: (2024)
by: Damour, Yann, et al.
Published: (2024)
Relativistic coupled cluster with completely renormalized and perturbative triples corrections
by: Yuwono, Stephen H., et al.
Published: (2024)
by: Yuwono, Stephen H., et al.
Published: (2024)
Strong coupling Møller-Plesset perturbation theory
by: Moutaoukal, Yassir El, et al.
Published: (2025)
by: Moutaoukal, Yassir El, et al.
Published: (2025)
MP2-based composite extrapolation schemes can predict core-ionization energies for first-row elements with coupled-cluster level accuracy
by: Morgunov, Anton, et al.
Published: (2024)
by: Morgunov, Anton, et al.
Published: (2024)
Assessment of random-phase approximation and second order Møller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene
by: Pham, Khanh Ngoc, et al.
Published: (2024)
by: Pham, Khanh Ngoc, et al.
Published: (2024)
Quantum-centric strong and dynamical electron correlation: A resource-efficient second-order $N$-electron valence perturbation theory formulation for near-term quantum devices
by: Fitzpatrick, Aaron, et al.
Published: (2024)
by: Fitzpatrick, Aaron, et al.
Published: (2024)
Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory
by: Angelico, Sara, et al.
Published: (2024)
by: Angelico, Sara, et al.
Published: (2024)
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)
Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory
by: Coveney, Christopher J. N.
Published: (2025)
by: Coveney, Christopher J. N.
Published: (2025)
Analytic gradients for equation-of-motion coupled cluster with single, double, and perturbative triple excitations
by: Zhao, Tingting, et al.
Published: (2024)
by: Zhao, Tingting, et al.
Published: (2024)
Spin-free exact two-component linear response coupled cluster theory for estimation of frequency-dependent second-order property
by: Chakraborty, Sudipta, et al.
Published: (2024)
by: Chakraborty, Sudipta, et al.
Published: (2024)
Symmetry-based perturbation theory for electronic structure calculations
by: Nishimura, Hiromichi, et al.
Published: (2026)
by: Nishimura, Hiromichi, et al.
Published: (2026)
Diagrams and symmetry in polaritonic coupled cluster theory
by: Monzel, Laurenz, et al.
Published: (2024)
by: Monzel, Laurenz, et al.
Published: (2024)
Building high-energy silicon-containing batteries using off-the-shelf materials
by: Rodrigues, Marco-Tulio F., et al.
Published: (2025)
by: Rodrigues, Marco-Tulio F., et al.
Published: (2025)
Thermodynamic and structural behavior of one-dimensional divalent patchy hard rods: Wertheim's first-order thermodynamic perturbation theory versus exact results
by: Montero, Ana M., et al.
Published: (2026)
by: Montero, Ana M., et al.
Published: (2026)
An excitation matched local correlation approach to excited state specific perturbation theory
by: Clune, Rachel, et al.
Published: (2025)
by: Clune, Rachel, et al.
Published: (2025)
Range separation of the interaction potential in intermolecular and intramolecular symmetry-adapted perturbation theory
by: Luu, Du, et al.
Published: (2024)
by: Luu, Du, et al.
Published: (2024)
Accurate Chemistry Collection: Coupled cluster atomization energies for broad chemical space
by: Ehlert, Sebastian, et al.
Published: (2025)
by: Ehlert, Sebastian, et al.
Published: (2025)
Non-adiabatic perturbation theory of the exact factorisation
by: Tu, Matisse Wei-Yuan, et al.
Published: (2025)
by: Tu, Matisse Wei-Yuan, et al.
Published: (2025)
Continuous and discontinuous realizations of first-order phase transitions
by: Hempel, Matthias
Published: (2026)
by: Hempel, Matthias
Published: (2026)
Coupled cluster theory for positron binding in anions and polyatomic molecules
by: Riso, Rosario R., et al.
Published: (2026)
by: Riso, Rosario R., et al.
Published: (2026)
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)
The coherent-state transformation in quantum electrodynamics coupled cluster theory
by: Fischer, Eric W.
Published: (2026)
by: Fischer, Eric W.
Published: (2026)
Similar Items
-
Formation of ultracold triatomic molecules by electric microwave association
by: Shammout, Baraa, et al.
Published: (2025) -
Diagrammatic theory of the irreducible coupled-cluster self-energy
by: Coveney, Christopher J. N., et al.
Published: (2023) -
Multi-reference coupled cluster theory using the normal ordered exponential ansatz
by: Gunasekera, Alexander, et al.
Published: (2024) -
Deeper-band electron contributions to stopping power of silicon for low-energy ions
by: Matias, F., et al.
Published: (2024) -
Constrained nuclear-electronic orbital second-order Moller-Plesset perturbation theory
by: Tucker, Gabrielle B., et al.
Published: (2026)