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。Graphics Processing Unit acceleration of the Random Phase Approximation in the projector augmented wave method
Jun Yan et al.
COMPUTER PHYSICS COMMUNICATIONS (2013)
Communication: Random phase approximation renormalized many-body perturbation theory
Jefferson E. Bates et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation
Haowei Peng et al.
PHYSICAL REVIEW B (2013)
Band-structure calculations for the 3d transition metal oxides in GW
Stephan Lany
PHYSICAL REVIEW B (2013)
Formation energies of group I and II metal oxides using random phase approximation
Jun Yan et al.
PHYSICAL REVIEW B (2013)
Self-consistent GW: All-electron implementation with localized basis functions
Fabio Caruso et al.
PHYSICAL REVIEW B (2013)
Random-phase approximation and its applications in computational chemistry and materials science
Xinguo Ren et al.
JOURNAL OF MATERIALS SCIENCE (2012)
Conventional and acoustic surface plasmons on noble metal surfaces: A time-dependent density functional theory study
Jun Yan et al.
PHYSICAL REVIEW B (2012)
Optical properties of bulk semiconductors and graphene/boron nitride: The Bethe-Salpeter equation with derivative discontinuity-corrected density functional energies
Jun Yan et al.
PHYSICAL REVIEW B (2012)
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
Vladan Stevanovic et al.
PHYSICAL REVIEW B (2012)
Extending the random-phase approximation for electronic correlation energies: The renormalized adiabatic local density approximation
Thomas Olsen et al.
PHYSICAL REVIEW B (2012)
Electron correlation methods based on the random phase approximation
Henk Eshuis et al.
THEORETICAL CHEMISTRY ACCOUNTS (2012)
Random-phase approximation correlation methods for molecules and solids
A. Hesselmann et al.
MOLECULAR PHYSICS (2011)
First-principles study of surface plasmons on Ag(111) and H/Ag(111)
Jun Yan et al.
PHYSICAL REVIEW B (2011)
Linear density response function in the projector augmented wave method: Applications to solids, surfaces, and interfaces
Jun Yan et al.
PHYSICAL REVIEW B (2011)
Formation enthalpies by mixing GGA and GGA plus U calculations
Anubhav Jain et al.
PHYSICAL REVIEW B (2011)
Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional
Andreas Hesselmann et al.
PHYSICAL REVIEW LETTERS (2011)
Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation
Thomas Olsen et al.
PHYSICAL REVIEW LETTERS (2011)
Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
Xinguo Ren et al.
PHYSICAL REVIEW LETTERS (2011)
Hybrid functionals including random phase approximation correlation and second-order screened exchange
Joachim Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J. Enkovaara et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Accurate surface and adsorption energies from many-body perturbation theory
L. Schimka et al.
NATURE MATERIALS (2010)
Relationship between the random-phase approximation ground-state total energy and GW quasiparticle energy
Lin-Wang Wang
PHYSICAL REVIEW B (2010)
Kohn-Sham potential with discontinuity for band gap materials
M. Kuisma et al.
PHYSICAL REVIEW B (2010)
First-principles modeling of localized d states with the GW@LDA+U approach
Hong Jiang et al.
PHYSICAL REVIEW B (2010)
Fully self-consistent GW calculations for molecules
C. Rostgaard et al.
PHYSICAL REVIEW B (2010)
Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
Judith Harl et al.
PHYSICAL REVIEW B (2010)
Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds
V. L. Chevrier et al.
PHYSICAL REVIEW B (2010)
Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
S. Lebegue et al.
PHYSICAL REVIEW LETTERS (2010)
Making the random phase approximation to electronic correlation accurate
Andreas Grueneis et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Exploring the random phase approximation: Application to CO adsorbed on Cu(111)
Xinguo Ren et al.
PHYSICAL REVIEW B (2009)
Accurate Bulk Properties from Approximate Many-Body Techniques
Judith Harl et al.
PHYSICAL REVIEW LETTERS (2009)
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
Fabien Tran et al.
PHYSICAL REVIEW LETTERS (2009)
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study
G. Diego Gatta et al.
PHYSICS AND CHEMISTRY OF MINERALS (2007)
Ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations
Nicholas J. Mosey et al.
PHYSICAL REVIEW B (2007)
Electrolysis of water on oxide surfaces
J. Rossmeisl et al.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2007)
Magnetodielectric coupling in Mn3O4
R. Tackett et al.
PHYSICAL REVIEW B (2007)
Cation ordering in MgTi2O5 (karrooite):: Probing temperature dependent effects with neutrons
Alistair R. Lennie et al.
AMERICAN MINERALOGIST (2007)
Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations
C. Franchini et al.
PHYSICAL REVIEW B (2007)
Synchrotron x-ray study of polycrystalline wurtzite Zn1-xMgxO (0≤x≤0.15):: Evolution of crystal structure and polarization
Young-Il Kim et al.
APPLIED PHYSICS LETTERS (2007)
First-principles LDA plus U and GGA plus U study of cerium oxides: Dependence on the effective U parameter
Christoph Loschen et al.
PHYSICAL REVIEW B (2007)
Adequacy of approximations in GW theory
Mark van Schilfgaarde et al.
PHYSICAL REVIEW B (2006)
Negative thermal expansion and local dynamics in Cu2O and Ag2O
A. Sanson et al.
PHYSICAL REVIEW B (2006)
Oxidation energies of transition metal oxides within the GGA+U framework
Lei Wang et al.
PHYSICAL REVIEW B (2006)
Synthesis and study of the crystallographic and magnetic structure of SeCoO3 -: art. no. 104442
A Muñoz et al.
PHYSICAL REVIEW B (2006)
MnO and NiO nanoparticles: synthesis and magnetic properties
M Ghosh et al.
JOURNAL OF MATERIALS CHEMISTRY (2006)
Real-space grid implementation of the projector augmented wave method
JJ Mortensen et al.
PHYSICAL REVIEW B (2005)
Linear response approach to the calculation of the effective interaction parameters in the LDA+U method
M Cococcioni et al.
PHYSICAL REVIEW B (2005)
Band-gap energy in the random-phase approximation to density-functional theory
YM Niquet et al.
PHYSICAL REVIEW B (2004)
Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework
YM Niquet et al.
PHYSICAL REVIEW A (2003)
Molecular tests of the random phase approximation to the exchange-correlation energy functional
F Furche
PHYSICAL REVIEW B (2001)
Topotactic reactions, structural studies, and lithium intercalation in cation-deficient spinels with formula close to Li2Mn4O9
AI Palos et al.
JOURNAL OF SOLID STATE CHEMISTRY (2001)
Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes
ZD Yan et al.
PHYSICAL REVIEW B (2000)
分享论文
