Q-MP2-OS: Møller–Plesset Correlation Energy by Quadrature-Reference-Cited by-同舟云学术

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Q-MP2-OS: Møller–Plesset Correlation Energy by Quadrature

Published:2020-01-23 Issue:3 Volume:16 Page:1568-1577
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Barca Giuseppe M. J.¹^ORCID,McKenzie Simon C.²³,Bloomfield Nathaniel J.³,Gilbert Andrew T. B.³,Gill Peter M. W.²

Affiliation:

1. Research School of Computer Science, Australian National University, Canberra, Australian Capital Territory 2601, Australia

2. School of Chemistry, University of Sydney, Sydney, New South Wales 2006, Australia

3. Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory 2601, Australia

Funder

Agence Nationale de la Recherche

Australian Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01142

Reference68 articles.

1. Note on an Approximation Treatment for Many-Electron Systems

2. Correlation energy in LiH, BH, and HF with many-body perturbation theory using slater-type atomic orbitals

3. On the convergence of the M�ller-Plesset perturbation series

4. Is fifth-order MBPT enough?

5. Deceptive convergence in møller-plesset perturbation energies

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1. Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: Translational eigenstates of Ne@C70;The Journal of Chemical Physics;2024-08-02

2. Analysis and Assessment of Knowles’ Partitioning in Many-Body Perturbation Theory;Journal of Chemical Theory and Computation;2024-06-07

3. Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression;The Journal of Chemical Physics;2024-03-11

4. High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients;Journal of Chemical Theory and Computation;2024-03-08

5. Local Second-Order Møller–Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment;Journal of Chemical Theory and Computation;2023-10-25

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