Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 142, Issue 15, Pages 154123
Publisher
AIP Publishing
Online
2015-04-22
DOI
10.1063/1.4918710
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Basis convergence of range-separated density-functional theory
- (2015) Odile Franck et al. JOURNAL OF CHEMICAL PHYSICS
- Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation
- (2014) Bastien Mussard et al. Journal of Chemical Theory and Computation
- Communication: Random phase approximation renormalized many-body perturbation theory
- (2013) Jefferson E. Bates et al. JOURNAL OF CHEMICAL PHYSICS
- Erratum to: Theoretical reference values for the AE6 and BH6 test sets from explicitly correlated coupled-cluster theory
- (2013) Robin Haunschild et al. THEORETICAL CHEMISTRY ACCOUNTS
- Short range DFT combined with long-range local RPA within a range-separated hybrid DFT framework
- (2012) E. Chermak et al. CHEMICAL PHYSICS LETTERS
- Basis set convergence of molecular correlation energy differences within the random phase approximation
- (2012) Henk Eshuis et al. JOURNAL OF CHEMICAL PHYSICS
- New accurate reference energies for the G2/97 test set
- (2012) Robin Haunschild 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
- Theoretical reference values for the AE6 and BH6 test sets from explicitly correlated coupled-cluster theory
- (2012) Robin Haunschild et al. THEORETICAL CHEMISTRY ACCOUNTS
- 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
- Spin flipping in ring-coupled-cluster-doubles theory
- (2011) Wim Klopper et al. CHEMICAL PHYSICS LETTERS
- Long-range-corrected hybrids using a range-separated Perdew-Burke-Ernzerhof functional and random phase approximation correlation
- (2011) Robert M. Irelan et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- Correlation Energy Expressions from the Adiabatic-Connection Fluctuation–Dissipation Theorem Approach
- (2011) János G. Ángyán et al. Journal of Chemical Theory and Computation
- Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
- (2010) Wuming Zhu 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
- 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
- Random phase approximation correlation energies with exact Kohn–Sham exchange
- (2010) Andreas Heßelmann et al. MOLECULAR PHYSICS
- Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications
- (2010) Julien Toulouse et al. PHYSICAL REVIEW A
- Development and assessment of a short-range meta-GGA functional
- (2009) Erich Goll et al. JOURNAL OF CHEMICAL PHYSICS
- 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
- The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights
- (2009) Jingjing Zheng et al. Journal of Chemical Theory and Computation
- Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals
- (2009) Benjamin G. Janesko et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory
- (2009) Huy-Viet Nguyen et al. PHYSICAL REVIEW B
- Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation
- (2009) Julien Toulouse et al. PHYSICAL REVIEW LETTERS
- 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
- 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