Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks
出版年份 2013 全文链接
标题
Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 88, Issue 3, Pages -
出版商
American Physical Society (APS)
发表日期
2013-07-18
DOI
10.1103/physrevb.88.035120
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory
- (2013) Fabio Caruso et al. PHYSICAL REVIEW LETTERS
- Basis set convergence of molecular correlation energy differences within the random phase approximation
- (2012) Henk Eshuis et al. JOURNAL OF CHEMICAL PHYSICS
- Random-phase approximation and its applications in computational chemistry and materials science
- (2012) Xinguo Ren et al. JOURNAL OF MATERIALS SCIENCE
- Calculation of dispersion energies
- (2012) John F Dobson et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 andGWwith numeric atom-centered orbital basis functions
- (2012) Xinguo Ren et al. NEW JOURNAL OF PHYSICS
- Assessment of correlation energies based on the random-phase approximation
- (2012) Joachim Paier et al. NEW JOURNAL OF PHYSICS
- Extending the random-phase approximation for electronic correlation energies: The renormalized adiabatic local density approximation
- (2012) Thomas Olsen et al. PHYSICAL REVIEW B
- Density-Functional Theory forf-Electron Systems: Theα−γPhase Transition in Cerium
- (2012) Marco Casadei et al. PHYSICAL REVIEW LETTERS
- Electron correlation methods based on the random phase approximation
- (2012) Henk Eshuis et al. THEORETICAL CHEMISTRY ACCOUNTS
- Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations
- (2012) E. Fabiano et al. THEORETICAL CHEMISTRY ACCOUNTS
- Third-order corrections to random-phase approximation correlation energies
- (2011) Andreas Heßelmann JOURNAL OF CHEMICAL PHYSICS
- Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions
- (2011) Julien Toulouse et al. JOURNAL OF CHEMICAL PHYSICS
- A simple but fully nonlocal correction to the random phase approximation
- (2011) Adrienn Ruzsinszky et al. JOURNAL OF CHEMICAL PHYSICS
- Correlation Energy Expressions from the Adiabatic-Connection Fluctuation–Dissipation Theorem Approach
- (2011) János G. Ángyán et al. Journal of Chemical Theory and Computation
- S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures
- (2011) Jan Řezáč et al. Journal of Chemical Theory and Computation
- A Parameter-Free Density Functional That Works for Noncovalent Interactions
- (2011) Henk Eshuis et al. Journal of Physical Chemistry Letters
- Random-phase approximation correlation methods for molecules and solids
- (2011) A. Heßelmann et al. MOLECULAR PHYSICS
- Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional
- (2011) Andreas Heßelmann et al. PHYSICAL REVIEW LETTERS
- Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
- (2011) Xinguo Ren et al. PHYSICAL REVIEW LETTERS
- Erratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]
- (2010) Joachim Paier et al. JOURNAL OF CHEMICAL PHYSICS
- Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions
- (2010) Deyu Lu et al. JOURNAL OF CHEMICAL PHYSICS
- Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
- (2010) Wuming Zhu et al. JOURNAL OF CHEMICAL PHYSICS
- Basis set consistent revision of the S22 test set of noncovalent interaction energies
- (2010) Tait Takatani et al. JOURNAL OF CHEMICAL PHYSICS
- Hybrid functionals including random phase approximation correlation and second-order screened exchange
- (2010) Joachim Paier et al. JOURNAL OF CHEMICAL PHYSICS
- Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
- (2010) Andreas Grüneis et al. JOURNAL OF CHEMICAL PHYSICS
- On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions
- (2010) Georg Jansen et al. JOURNAL OF CHEMICAL PHYSICS
- Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set
- (2010) Lucie Gráfová et al. Journal of Chemical Theory and Computation
- van der Waals Interactions in Molecular Assemblies from First-Principles Calculations
- (2010) Yan Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Ab initioDFT and its role in electronic structure theory
- (2010) Rodney J. Bartlett MOLECULAR PHYSICS
- The connection between self-interaction and static correlation: a random phase approximation perspective
- (2010) Thomas M. Henderson et al. MOLECULAR PHYSICS
- Accurate surface and adsorption energies from many-body perturbation theory
- (2010) L. Schimka et al. NATURE MATERIALS
- Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
- (2010) Judith Harl et al. PHYSICAL REVIEW B
- Ab initio molecular simulations with numeric atom-centered orbitals
- (2009) Volker Blum et al. COMPUTER PHYSICS COMMUNICATIONS
- Long-range-corrected hybrid density functionals including random phase approximation correlation: Application to noncovalent interactions
- (2009) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Making the random phase approximation to electronic correlation accurate
- (2009) Andreas Grüneis et al. JOURNAL OF CHEMICAL PHYSICS
- Long-range-corrected hybrids including random phase approximation correlation
- (2009) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Exploring the random phase approximation: Application to CO adsorbed on Cu(111)
- (2009) Xinguo Ren et al. PHYSICAL REVIEW B
- Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation
- (2009) Julien Toulouse et al. PHYSICAL REVIEW LETTERS
- Ab initioCalculation of van der Waals Bonded Molecular Crystals
- (2009) Deyu Lu et al. PHYSICAL REVIEW LETTERS
- Accurate Bulk Properties from Approximate Many-Body Techniques
- (2009) Judith Harl et al. PHYSICAL REVIEW LETTERS
- Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples
- (2008) Jan Řezáč et al. COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS
- The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach
- (2008) Gustavo E. Scuseria et al. JOURNAL OF CHEMICAL PHYSICS
- Developing the random phase approximation into a practical post-Kohn–Sham correlation model
- (2008) Filipp Furche JOURNAL OF CHEMICAL PHYSICS
- Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
- (2008) Judith Harl et al. PHYSICAL REVIEW B
Create your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started