Related references
Note: Only part of the references are listed.Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization
Dhabih V. Chulhai et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Exact density functional and wave function embedding schemes based on orbital localization
Bence Hegely et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
DFT: A Theory Full of Holes?
Aurora Pribram-Jones et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)
Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment (vol 142, 044111, 2015)
Thomas Dresselhaus et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Frozen Density Embedding with External Orthogonality in De localized Covalent Systems
Dhabih V. Chulhai et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Embedded Mean-Field Theory
Mark E. Fornace et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Embedded Correlated Wavefunction Schemes: Theory and Applications
Florian Libisch et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
Accurate and systematically improvable density functional theory embedding for correlated wavefunctions
Jason D. Goodpaster et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si
Merzuk Kaltak et al.
PHYSICAL REVIEW B (2014)
Towards an exact description of electronic wavefunctions in real solids
George H. Booth et al.
NATURE (2013)
Dual behavior of excess electrons in rutile TiO2
A. Janotti et al.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS (2013)
Electronic Structure and van der Waals Interactions in the Stability and Mobility of Point Defects in Semiconductors
Wang Gao et al.
PHYSICAL REVIEW LETTERS (2013)
Challenges for Density Functional Theory
Aron J. Cohen et al.
CHEMICAL REVIEWS (2012)
Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes
Jason D. Goodpaster et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective on density functional theory
Kieron Burke
JOURNAL OF CHEMICAL PHYSICS (2012)
A Simple, Exact Density-Functional-Theory Embedding Scheme
Frederick R. Manby et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Assessment of correlation energies based on the random-phase approximation
Joachim Paier et al.
NEW JOURNAL OF PHYSICS (2012)
Origin of the Energy Barrier to Chemical Reactions of O2 on Al(111): Evidence for Charge Transfer, Not Spin Selection
Florian Libisch et al.
PHYSICAL REVIEW LETTERS (2012)
Resonant Addressing and Manipulation of Silicon Vacancy Qubits in Silicon Carbide
D. Riedel et al.
PHYSICAL REVIEW LETTERS (2012)
Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory
Gerald Knizia et al.
PHYSICAL REVIEW LETTERS (2012)
Accurate and Efficient Method for Many-Body van der Waals Interactions
Alexandre Tkatchenko et al.
PHYSICAL REVIEW LETTERS (2012)
Embedded density functional theory for covalently bonded and strongly interacting subsystems
Jason D. Goodpaster et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Molecular binding energies from partition density functional theory
Jonathan Nafziger et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Quantum mechanical embedding theory based on a unique embedding potential
Chen Huang et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grueneis et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Hybrid functionals including random phase approximation correlation and second-order screened exchange
Joachim Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Second-order Moller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
Andreas Grueneis et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds
Samuel Fux et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D. Goodpaster et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Second-order Moller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set
M. Marsman et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Developing the random phase approximation into a practical post-Kohn-Sham correlation model
Filipp Furche
JOURNAL OF CHEMICAL PHYSICS (2008)
Experimental evidence of the vacancy-mediated silicon self-diffusion in single-crystalline silicon
Yasuo Shimizu et al.
PHYSICAL REVIEW LETTERS (2007)
Describing static correlation in bond dissociation by Kohn-Sham density functional theory
M Fuchs et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Formation of thermal vacancies in highly As and P doped Si
V Ranki et al.
PHYSICAL REVIEW LETTERS (2004)
Radiation enhanced silicon self-diffusion and the silicon vacancy at high temperatures
H Bracht et al.
PHYSICAL REVIEW LETTERS (2003)
Total energy of solids: An exchange and random-phase approximation correlation study
T Miyake et al.
PHYSICAL REVIEW B (2002)