Cover Image

Assessment of random-phase approximation and second order Møller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Pham, Khanh Ngoc, Modrzejewski, Marcin, Klimeš, Jiří
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Constrained nuclear-electronic orbital second-order Moller-Plesset perturbation theory
by: Tucker, Gabrielle B., et al.
Published: (2026)

Strong coupling Møller-Plesset perturbation theory
by: Moutaoukal, Yassir El, et al.
Published: (2025)

Many body CCSD(T), MPn, and RPA energies for ammonia, methanol, and formic acid
by: Pham, Khanh Ngoc, et al.
Published: (2025)

Reduction of finite-size effects for second-order Møller-Plesset perturbation theory with singularity subtraction
by: Quiton, Stephen Jon, et al.
Published: (2026)

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)

Variational Lang-Firsov approach plus Møller-Plesset perturbation theory with applications to ab initio polariton chemistry
by: Cui, Zhi-Hao, et al.
Published: (2023)

The Møller-Plesset Adiabatic Connection at Large Coupling Strengths for Open-shell Systems
by: Daas, Kimberly J., et al.
Published: (2024)

Analytic Computation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory
by: Shumberger, Brendan M., et al.
Published: (2025)

Generalized many-body perturbation theory for the electron correlation energy: multi-reference random phase approximation via diagrammatic resummation
by: Wang, Yuqi, et al.
Published: (2024)

Spin-polarized alkali-metal trimers revisited
by: Klimeš, Jiří, et al.
Published: (2025)

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)

Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction Doubles
by: Shumberger, Brendan M., et al.
Published: (2024)

NMR Chemical Shift Computations at Second-Order Møller-Plesset Perturbation Theory Using Gauge-Including Atomic Orbitals and Cholesky-Decomposed Two-Electron Integrals
by: Burger, Sophia, et al.
Published: (2021)

Correcting basis set incompleteness in wave function correlation energy by dressing electronic Hamiltonian with an effective short-range interaction
by: Hapka, Michał, et al.
Published: (2025)

Optimization of random phase approximation calculations for improved energies of molecules, solids, and surfaces
by: Yu, Neung-Kyung, et al.
Published: (2026)

Molecular simulations and deep neural networks‐based interpretable machine learning modelling of reverse adsorptive MOFs for ethane/ethylene separation
by: Khushboo Yadava, et al.
Published: (2024)

Excited state-specific CASSCF theory for the torsion of ethylene
by: Saade, Sandra, et al.
Published: (2024)

Renormalization group approach to second-order Green's function theory
by: Krieger, Joshua, et al.
Published: (2025)

Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentials
by: Ibrahim, Alexander, et al.
Published: (2025)

Fundamental measure theory for predicting many-body correlation functions
by: Pihlajamaa, Ilian, et al.
Published: (2025)

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)

Range separation of the interaction potential in intermolecular and intramolecular symmetry-adapted perturbation theory
by: Luu, Du, et al.
Published: (2024)

The three channels of many-body perturbation theory: $GW$, particle-particle, and electron-hole $T$-matrix self-energies
by: Orlando, Roberto, et al.
Published: (2023)

Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces
by: Ibrahim, Alexander, et al.
Published: (2025)

Simulation of the total energy of a triatomic silicon cluster in the first order of perturbation theory
by: Koshcheev, V. P., et al.
Published: (2025)

A statistical theory of structure in many-particle systems with local interactions
by: Çamkıran, John, et al.
Published: (2026)

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)

Attaining high accuracy for charge-transfer excitations in non-covalent complexes at second-order perturbation cost: the importance of state-specific self-consistency
by: Tran, Nhan Tri, et al.
Published: (2024)

Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory
by: Roulet, Julien, et al.
Published: (2020)

Catalight -- an open source automated photocatalytic reactor package illustrated through plasmonic acetylene hydrogenation
by: Bourgeois, B. B., et al.
Published: (2025)

Analytical gradients of random-phase approximation plus corrections from renormalized single excitations
by: Tahir, Muhammad N., et al.
Published: (2025)

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

Titania: From a waste solid catalyst to an inorganic pigment
by: Nhuan N. Doan, et al.
Published: (2025)

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)

A particle view of many-body electronic structure with neural network wavefunction
by: Wang, Zichen, et al.
Published: (2025)

Exact factorization of a many-body wavefunction beyond the electron-nuclear problem
by: Schürger, Peter, et al.
Published: (2026)

Fundamental bounds on many-body spin cluster intensities
by: Bengs, Christian, et al.
Published: (2024)

Generalized convolutional many body distribution functional representations
by: Khan, Danish, et al.
Published: (2024)

Periodic implementation of the random phase approximation with numerical atomic orbitals and dual reciprocal space grids
by: Spadetto, Edoardo, et al.
Published: (2025)

Anisotropy parameters for two-color photoionization phases in randomly oriented molecules: theory and experiment in methane and deuteromethane
by: Ertel, Dominik, et al.
Published: (2024)