Amanote Research
Register
Sign In
Discover open access scientific publications
Search, annotate, share and cite publications
Publications by Manoj K. Harbola
Accurate Determination of Band Gaps Within Density Functional Formalism
Physical Review B
Related publications
Density Functional Band Gaps of AlAs
Physical Review B
Orbital-Separation Approach for Consideration of Finite Electric Bias Within Density-Functional Total-Energy Formalism
Physical Review B
Temperature Dependence of Band Gaps and Conformational Disorder in PEDOT and Its Selenium and Tellurium Derivatives: Density Functional Calculations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Accurate Double Excitations From Ensemble Density Functional Calculations
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Accurate Magnetic Couplings in Chromium-Based Molecular Rings From Broken-Symmetry Calculations Within Density Functional Theory
Accurate Prediction of Defect Properties in Density Functional Supercell Calculations
Modelling and Simulation in Materials Science and Engineering
Mechanics of Materials
Materials Science
Condensed Matter Physics
Simulation
Computer Science Applications
Modeling
Hybrid Density Functional Theory Band Structure Engineering in Hematite
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Is Density Functional Theory Accurate for Lytic Polysaccharide Monooxygenase Enzymes?
Dalton Transactions
Inorganic Chemistry
Large-Scale Benchmark of ExchangeCorrelation Functionals for the Determination of Electronic Band Gaps of Solids
