Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory
Authors
Keywords
-
Journal
PHYSICAL REVIEW LETTERS
Volume 118, Issue 2, Pages -
Publisher
American Physical Society (APS)
Online
2017-01-10
DOI
10.1103/physrevlett.118.026402
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states
- (2016) Masayuki Ochi et al. JOURNAL OF CHEMICAL PHYSICS
- Second-order Møller–Plesset perturbation theory for the transcorrelated Hamiltonian applied to solid-state calculations
- (2015) Masayuki Ochi et al. CHEMICAL PHYSICS LETTERS
- Towards a systematic assessment of errors in diffusion Monte Carlo calculations of semiconductors: Case study of zinc selenide and zinc oxide
- (2015) Jaehyung Yu et al. JOURNAL OF CHEMICAL PHYSICS
- Lie algebraic similarity transformed Hamiltonians for lattice model systems
- (2015) Jacob M. Wahlen-Strothman et al. PHYSICAL REVIEW B
- Coupled cluster channels in the homogeneous electron gas
- (2014) James J. Shepherd et al. JOURNAL OF CHEMICAL PHYSICS
- Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators
- (2014) Masayuki Ochi et al. JOURNAL OF CHEMICAL PHYSICS
- Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles
- (2014) Masayuki Ochi et al. Journal of Chemical Theory and Computation
- Range-Separated Brueckner Coupled Cluster Doubles Theory
- (2014) James J. Shepherd et al. PHYSICAL REVIEW LETTERS
- Excited state calculations in solids by auxiliary-field quantum Monte Carlo
- (2013) Fengjie Ma et al. NEW JOURNAL OF PHYSICS
- Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories
- (2013) James J. Shepherd et al. PHYSICAL REVIEW LETTERS
- Efficient algorithm of the transcorrelated method for periodic systems
- (2012) Masayuki Ochi et al. JOURNAL OF CHEMICAL PHYSICS
- Canonical transcorrelated theory with projected Slater-type geminals
- (2012) Takeshi Yanai et al. JOURNAL OF CHEMICAL PHYSICS
- Towards an exact description of electronic wavefunctions in real solids
- (2012) George H. Booth et al. NATURE
- Angle-resolved photoemission and quasiparticle calculation of ZnO: The need fordband shift in oxide semiconductors
- (2012) Linda Y. Lim et al. PHYSICAL REVIEW B
- VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data
- (2011) Koichi Momma et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Effects of Long-Range Correlations on Nonmagnetic Mott Transitions in Hubbard Model on Square Lattice
- (2011) Tomoaki Miyagawa et al. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
- Effect of Doublon–Holon Binding on Mott Transition–Variational Monte Carlo Study of Two-Dimensional Bose Hubbard Models
- (2011) Hisatoshi Yokoyama et al. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
- Applications of quantum Monte Carlo methods in condensed systems
- (2011) Jindřich Kolorenč et al. REPORTS ON PROGRESS IN PHYSICS
- Variational transcorrelated method
- (2010) Hongjun Luo JOURNAL OF CHEMICAL PHYSICS
- Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
- (2010) Andreas Grüneis et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
- (2010) Masatoshi Imada et al. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
- Quantum Monte Carlo study of the transcorrelated method for correlation factors
- (2010) Hongjun Luo et al. MOLECULAR PHYSICS
- Quasiparticle Band Gap of ZnO: High Accuracy from the ConventionalG0W0Approach
- (2010) Bi-Ching Shih et al. PHYSICAL REVIEW LETTERS
- Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set
- (2009) M. Marsman et al. JOURNAL OF CHEMICAL PHYSICS
- Transcorrelated Method: Another Possible Way towards Electronic Structure Calculation of Solids
- (2009) Shinji Tsuneyuki PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT
- Band structure of ZnO from resonant x-ray emission spectroscopy
- (2008) A. R. H. Preston 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