Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
Authors
Keywords
-
Journal
PHYSICAL REVIEW LETTERS
Volume 119, Issue 14, Pages -
Publisher
American Physical Society (APS)
Online
2017-10-06
DOI
10.1103/physrevlett.119.145501
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Analytic Interatomic Forces in the Random Phase Approximation
- (2017) Benjamin Ramberger et al. PHYSICAL REVIEW LETTERS
- Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
- (2016) Jianwei Sun et al. Nature Chemistry
- Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites
- (2016) Menno Bokdam et al. Scientific Reports
- Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
- (2016) P. S. Whitfield et al. Scientific Reports
- Thermal Effects on CH3NH3PbI3 Perovskite from Ab Initio Molecular Dynamics Simulations
- (2015) Marcelo A. Carignano et al. Journal of Physical Chemistry C
- Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature
- (2015) A. Mattoni et al. Journal of Physical Chemistry C
- Structural and electronic properties of organo-halide hybrid perovskites from ab initio molecular dynamics
- (2015) Claudio Quarti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
- (2015) Federico Brivio et al. PHYSICAL REVIEW B
- Strongly Constrained and Appropriately Normed Semilocal Density Functional
- (2015) Jianwei Sun et al. PHYSICAL REVIEW LETTERS
- Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3
- (2015) Carlo Motta et al. Nature Communications
- The random phase approximation applied to ice
- (2014) M. Macher et al. JOURNAL OF CHEMICAL PHYSICS
- Role of Dispersive Interactions in Determining Structural Properties of Organic–Inorganic Halide Perovskites: Insights from First-Principles Calculations
- (2014) David A. Egger et al. Journal of Physical Chemistry Letters
- The emergence of perovskite solar cells
- (2014) Martin A. Green et al. Nature Photonics
- Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si
- (2014) Merzuk Kaltak et al. PHYSICAL REVIEW B
- Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
- (2013) Constantinos C. Stoumpos et al. INORGANIC CHEMISTRY
- Lattice constants and cohesive energies of alkali, alkaline-earth, and transition metals: Random phase approximation and density functional theory results
- (2013) Laurids Schimka et al. PHYSICAL REVIEW B
- Random-phase approximation and its applications in computational chemistry and materials science
- (2012) Xinguo Ren et al. JOURNAL OF MATERIALS SCIENCE
- van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations
- (2012) T. Björkman et al. PHYSICAL REVIEW LETTERS
- Accurate and Efficient Method for Many-Body van der Waals Interactions
- (2012) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Van der Waals density functionals applied to solids
- (2011) Jiří Klimeš et al. PHYSICAL REVIEW B
- Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation
- (2011) Thomas Olsen et al. PHYSICAL REVIEW LETTERS
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate surface and adsorption energies from many-body perturbation theory
- (2010) L. Schimka et al. NATURE MATERIALS
- Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
- (2010) S. Lebègue et al. PHYSICAL REVIEW LETTERS
- Speed-up of Ab Initio Hybrid Monte Carlo and Ab Initio Path Integral Hybrid Monte Carlo Simulations by Using an Auxiliary Potential Energy Surface
- (2009) Akira Nakayama et al. CHEMISTRY LETTERS
- Accurate Bulk Properties from Approximate Many-Body Techniques
- (2009) Judith Harl et al. PHYSICAL REVIEW LETTERS
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
- (2009) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Developing the random phase approximation into a practical post-Kohn–Sham correlation model
- (2008) Filipp Furche JOURNAL OF CHEMICAL PHYSICS
- Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
- (2008) John P. Perdew et al. PHYSICAL REVIEW LETTERS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started