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Literature DB >> 9999600

Band theory and Mott insulators: Hubbard U instead of Stoner I.

Abstract

Year: 1991 PMID： 9999600 DOI： 10.1103/physrevb.44.943

Source DB: PubMed Journal: Phys Rev B Condens Matter ISSN： 0163-1829

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155 in total

1. First principles study of periodic size dependent band gap variation of Cu doped ZnO single-wall nanotube.

Authors: Dong Mei Song; Tong Hui Wang; Jian Chen Li
Journal: J Mol Model Date: 2012-07-03 Impact factor: 1.810

2. Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry.

Authors: Zachary K Goldsmith; Aparna K Harshan; James B Gerken; Márton Vörös; Giulia Galli; Shannon S Stahl; Sharon Hammes-Schiffer
Journal: Proc Natl Acad Sci U S A Date: 2017-03-06 Impact factor: 11.205

3. Ab initio molecular dynamics calculations of ion hydration free energies.

Authors: Kevin Leung; Susan B Rempe; O Anatole von Lilienfeld
Journal: J Chem Phys Date: 2009-05-28 Impact factor: 3.488

4. Stabilizing the magnetic moment of single holmium atoms by symmetry.

Authors: Toshio Miyamachi; Tobias Schuh; Tobias Märkl; Christopher Bresch; Timofey Balashov; Alexander Stöhr; Christian Karlewski; Stephan André; Michael Marthaler; Martin Hoffmann; Matthias Geilhufe; Sergey Ostanin; Wolfram Hergert; Ingrid Mertig; Gerd Schön; Arthur Ernst; Wulf Wulfhekel
Journal: Nature Date: 2013-11-14 Impact factor: 49.962

Band theory and Mott insulators: Hubbard U instead of Stoner I.

1. First principles study of periodic size dependent band gap variation of Cu doped ZnO single-wall nanotube.

2. Characterization of NiFe oxyhydroxide electrocatalysts by integrated electronic structure calculations and spectroelectrochemistry.

3. Ab initio molecular dynamics calculations of ion hydration free energies.

4. Stabilizing the magnetic moment of single holmium atoms by symmetry.

5. Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles.

Review 6. Point defects in ZnO: an approach from first principles.

7. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

8. Progress on first-principles-based materials design for hydrogen storage.

Review 9. TiO₂ and ZrO₂ in biomass conversion: why catalyst reduction helps.

10. Screened hybrid density functionals for solid-state chemistry and physics.

Review 6. Point defects in ZnO: an approach from first principles.

Review 9. TiO2 and ZrO2 in biomass conversion: why catalyst reduction helps.

Review 9. TiO₂ and ZrO₂ in biomass conversion: why catalyst reduction helps.