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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 19-20: Special Issue of Molecular Physics in Honour of Jürgen Gauss
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Research Articles

Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states

Malte F. Langea Department of Chemistry, Columbia University, New York, NY, USAView further author information
&
Timothy C. Berkelbacha Department of Chemistry, Columbia University, New York, NY, USA;b Center for Computational Quantum Physics, Flatiron Institute, New York, NY, USACorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-7445-2136View further author information
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Article: e1808726 | Received 13 Mar 2020, Accepted 27 Jul 2020, Published online: 20 Aug 2020

Citations (9)

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Gianluca Tirimbò & Björn Baumeier. (2021) Ab initio modeling of excitons: from perfect crystals to biomaterials. Advances in Physics: X 6:1.
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Articles from other publishers (8)

Michael S. Chen, Joonho Lee, Hong-Zhou Ye, Timothy C. Berkelbach, David R. Reichman & Thomas E. Markland. (2023) Data-Efficient Machine Learning Potentials from Transfer Learning of Periodic Correlated Electronic Structure Methods: Liquid Water at AFQMC, CCSD, and CCSD(T) Accuracy. Journal of Chemical Theory and Computation 19:14, pages 4510-4519.
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Katelyn Laughon, Jason M. Yu & Tianyu Zhu. (2022) Periodic Coupled-Cluster Green’s Function for Photoemission Spectra of Realistic Solids. The Journal of Physical Chemistry Letters 13:39, pages 9122-9128.
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Sylvia J. Bintrim, Timothy C. Berkelbach & Hong-Zhou Ye. (2022) Integral-Direct Hartree–Fock and Møller–Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal. Journal of Chemical Theory and Computation 18:9, pages 5374-5381.
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Verena A. Neufeld, Hong-Zhou Ye & Timothy C. Berkelbach. (2022) Ground-State Properties of Metallic Solids from Ab Initio Coupled-Cluster Theory. The Journal of Physical Chemistry Letters 13:32, pages 7497-7503.
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Andreas Erbs Hillers-Bendtsen, Nicolai Machholdt Høyer, Frederik Ørsted Kjeldal, Kurt V. Mikkelsen, Jeppe Olsen & Poul Jørgensen. (2022) Cluster perturbation theory. VIII. First order properties for a coupled cluster state. The Journal of Chemical Physics 157:2.
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Hong-Zhou Ye & Timothy C. Berkelbach. (2022) Correlation-Consistent Gaussian Basis Sets for Solids Made Simple. Journal of Chemical Theory and Computation 18:3, pages 1595-1606.
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James M. Callahan, Malte F. Lange & Timothy C. Berkelbach. (2021) Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches. The Journal of Chemical Physics 154:21.
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Sylvia J. Bintrim & Timothy C. Berkelbach. (2021) Full-frequency GW without frequency. The Journal of Chemical Physics 154:4.
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