- Home
- Publications
- Publication Search
- Publication Details
Title
Practical auxiliary basis implementation of Rung 3.5 functionals
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 3, Pages 034103
Publisher
AIP Publishing
Online
2014-07-17
DOI
10.1063/1.4887085
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Perspective: Fifty years of density-functional theory in chemical physics
- (2014) Axel D. Becke JOURNAL OF CHEMICAL PHYSICS
- Rung 3.5 density functionals: Another step on Jacob's ladder
- (2012) Benjamin G. Janesko INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Nonspherical model density matrices for Rung 3.5 density functionals
- (2012) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Nonempirical Rung 3.5 density functionals from the Lieb-Oxford bound
- (2012) Benjamin G. Janesko JOURNAL OF CHEMICAL PHYSICS
- Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: Implementation via local hybrids and thermochemical assessment
- (2012) Robin Haunschild et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective on density functional theory
- (2012) Kieron Burke JOURNAL OF CHEMICAL PHYSICS
- Assessing the Accuracy of Density Functional and Semiempirical Wave Function Methods for Water Nanoparticles: Comparing Binding and Relative Energies of (H2O)16 and (H2O)17 to CCSD(T) Results
- (2012) Hannah R. Leverentz et al. Journal of Chemical Theory and Computation
- Comparing modern density functionals for conjugated polymer band structures: Screened hybrid, Minnesota, and Rung 3.5 approximations
- (2011) Benjamin G. Janesko JOURNAL OF CHEMICAL PHYSICS
- Density-based mixing parameter for hybrid functionals
- (2011) Miguel A. L. Marques et al. PHYSICAL REVIEW B
- Advances in local hybrid exchange-correlation functionals: from thermochemistry to magnetic-resonance parameters and hyperpolarizabilities
- (2010) Alexei V. Arbuznikov et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Rung 3.5 density functionals
- (2010) Benjamin G. Janesko JOURNAL OF CHEMICAL PHYSICS
- Global Hybrid Functionals: A Look at the Engine under the Hood
- (2010) Gábor I. Csonka et al. Journal of Chemical Theory and Computation
- Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment
- (2010) Marco Caricato et al. Journal of Chemical Theory and Computation
- Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method
- (2010) Tamar Stein et al. PHYSICAL REVIEW LETTERS
- A simple nonlocal model for exchange
- (2009) Benjamin G. Janesko JOURNAL OF CHEMICAL PHYSICS
- Can short-range hybrids describe long-range-dependent properties?
- (2009) Thomas M. Henderson et al. JOURNAL OF CHEMICAL PHYSICS
- Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
- (2009) John P. Perdew et al. Journal of Chemical Theory and Computation
- Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory
- (2009) Tamar Stein et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Generalized gradient approximation model exchange holes for range-separated hybrids
- (2008) Thomas M. Henderson et al. JOURNAL OF CHEMICAL PHYSICS
- Parameterized local hybrid functionals from density-matrix similarity metrics
- (2008) Benjamin G. Janesko et al. JOURNAL OF CHEMICAL PHYSICS
- Fractional charge perspective on the band gap in density-functional theory
- (2008) Aron J. Cohen et al. PHYSICAL REVIEW B
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started