Daniel Pieter Joubert

Daniel Pieter Joubert's AcademicInfluence.com Rankings

Physics

#4475

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#6147

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Physics

Daniel Pieter Joubert's Degrees

PhD Physics University of California, Berkeley
Masters Physics University of California, Berkeley
Bachelors Physics University of California, Berkeley

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Daniel Pieter Joubert's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

From ultrasoft pseudopotentials to the projector augmented-wave method (1999) (46137)
Density Functionals: Theory and Applications (1998) (135)
First-principle calculations of the bulk properties of 4d transition metal carbides and nitrides in the rocksalt, zincblende and wurtzite structures (2011) (59)
A density functional (PBE, PBEsol, HSE06) study of the structural, electronic and optical properties of the ternary compounds AgAlX2 (X = S, Se, Te) (2015) (36)
Structural and electronic properties of MX3 (M = Ti, Zr and Hf; X = S, Se, Te) from first principles calculations (2015) (33)
Computational study of the structural phases of ZnO (2011) (33)
Optical spectrum and excitons in bulk and monolayer MX2 (M=Zr, Hf; X=S, Se) (2016) (28)
Coupling-constant dependence of the density functional correlation energy (1998) (19)
Structural, electronic and optical properties of TcX2 (X = S, Se, Te) from first principles calculations (2016) (14)
A theoretical investigation of structural, mechanical, electronic and thermoelectric properties of orthorhombic CH3NH3PbI3 (2018) (14)
Electronic and optical properties of MX3 (M = Ti, Zr and Hf; X = S, Se) structures: A first principles insight (2016) (14)
Theoretical calculations on the structural, electronic, and optical properties of bulk silver nitrides (2012) (11)
Electronic structure and the attractive interaction between atoms on the (001) surface of W (1987) (11)
First principles calculations of the thermoelectric properties of α-MnO2 and β-MnO2 (2018) (10)
A theoretical investigation of structural, electronic and optical properties of bulk copper nitrides (2012) (8)
Structural stability and electronic properties of AgInS2 under pressure (2016) (8)
Uniqueness of the iterative solution of the optimized effective potential equation. (2007) (8)
First-principles study of structural stability, electronic properties and lattice thermal conductivity of KAgX (X = S, Se, Te) (2019) (7)
Ab initio study of phonon dispersion and thermodynamic properties of pure and doped pyrites (2017) (7)
Asymptotic form of the Kohn-Sham correlation potential (2007) (7)
DFT investigation of elastic, mechanical, vibrational and thermodynamic properties of cadmium dichalcogenides (2019) (7)
First principles study of the structural, stability properties and lattice thermal conductivity of bulk ReSe2 (2018) (7)
Supercell calculation of relaxation at the vacancy in diamond (1996) (6)
Investigation of structural, mechanical, dynamic, electronic and optical properties of seleno-germanates A2GeSe4 (A = Mg, Ca and γ-Sr) from first principles (2020) (6)
First principle studies on lattice thermal conductivity and thermoelectric properties of ScCu(S,Se,Te)2 (2021) (6)
A numerical study of the functional derivative of the kinetic part of the density functional correlation energy (1998) (6)
Structural, stability and thermoelectric properties for the monoclinic phase of NaSbS2 and NaSbSe2: A theoretical investigation (2019) (5)
Pressure effect on structural stability and optical absorption of triclinic NbS3 from DFT and many-body perturbation calculations (2020) (5)
Screening effects in C60 solids (1993) (5)
Homogeneity and isotropy of space requisites for kinetic‐energy functional derivatives (1994) (4)
Theoretical investigation of the thermoelectric properties of ACuO2(A = K, Rb and Cs) (2020) (4)
Density functionals : theory and applications : proceedings of the tenth Chris Engelbrecht Summer School in Theoretical Physics held at Meerensee, near Cape Town South Africa, 19-29 January 1997 (1998) (4)
Translational and rotational invariance requisites for density functional derivatives (1997) (4)
Lattice dynamics and thermoelectric properties of YCuSe2 (2019) (4)
Integral expressions satisfied by the gradient of density functional potentials (2003) (3)
Structural stability, electronic, optical and lattice thermal conductivity properties of bulk and monolayer PtS_2 (2019) (3)
A tight-binding phonon calculation to investigate the (001) surface instability of tungsten (1988) (3)
Second-order truncated functional expansions of energy density functionals (2001) (3)
Comprehensive first-principles study of bulk, bilayer, and monolayer α-PtO2 properties (2021) (3)
First-Principles Calculations of the Electronic and Optical Properties of CH3NH3PbI3 for Photovoltaic Applications (2018) (3)
Alternative derivation of an exchange-only density-functional optimized effective potential (2007) (3)
Computational study of the structural, electronic and optical properties of bulk palladium nitrides (2013) (3)
Equation satisfied by the energy-density functional for electron-electron mutual Coulomb repulsion (2011) (3)
Mechanical, thermal and thermoelectric properties of MX2 (M = Zr, Hf; X = S, Se) (2020) (2)
First-principles calculations of dynamical and thermodynamic properties of cuprite doped with silver (Cu2(1−x)Ag2xO) (2018) (2)
Growing Materials Science in Africa – The Case of the African School for Electronic Structure Methods and Applications (ASESMA) (2018) (2)
Quantum mechanical ab initio calculations of the structural, electronic and optical properties of bulk gold nitrides (2013) (2)
First principles prediction of the solar cell efficiency of chalcopyrite materials AgMX2 (M=In, Al; X=S, Se, Te) (2019) (2)
Structural stability, surface and photocatalytic properties of CdGeP2: A DFT study (2021) (2)
Some formal properties of ensemble density functionals (2013) (2)
A numerical investigation of properties of the electronic self-energy potential for metallic systems (1990) (2)
Screening trends in C60 solids (1993) (1)
Interatomic force constants and the reconstruction of transition metal surfaces (1986) (1)
First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A2GeSe4 (A = Mg; γ-Sr) surfaces for a promising visible light photocatalytic application (2020) (1)
Exact expressions for ensemble functionals from particle number dependence. (2012) (1)
Equation satisfied by electron-electron mutual Coulomb repulsion energy density functional (2011) (1)
Identities for density functionals linking functionals of different densities (2011) (1)
Comment on “Exact relation in the density functional theory” by Bobrov V. B. et al. (2011) (1)
Structural, electronic and optical characterization of bulk platinum nitrides: a first-principles study (2013) (1)
Pressure-induced phase transition in magnetoresistance perovskite La0.75Ca0.25MnO3: a GGA + U study (2021) (1)
Comment on “Impossibility of the existence of the universal density functional” by Bobrov V. B. and Trigger S. A. (2012) (1)
A study of radiation damage in plastic scintillators using magnetic resonance techniques for the upgrade of the ATLAS detector (2016) (1)
Constraints on density functionals and density functional derivatives (1999) (1)
The structural, electronic, and optical properties of CH3NH3PbI3 (2019) (1)
Functional relations for the density-functional exchange and correlation functionals connecting functionals at three densities (2011) (1)
Characterization of plastic scintillators using magnetic resonance techniques for the upgrade of the Tile Calorimeter in the ATLAS detector (2015) (1)
Nuclear level densities and partition functions (1982) (0)
First-principles study of structural, mechanical, dynamical stability, electronic and optical properties of orthorhombic CH3NH3SnI3 under pressure (2019) (0)
Structural and thermoelectric properties of the type-I Sn clathrates Cs8Sn46−n(n=0,2) from Density Functional Theory (DFT) (2018) (0)
Constraint on the second functional derivative of the exchange-correlation energy (2012) (0)
Numerical simulation of structural, electronic and optical properties of vanadium diselenide (VSe2) (2017) (0)
Electronic and Optical Properties of Lead-Free Hybrid Perovskite CH3NH3SnI3 from First Principles Calculations (2018) (0)
First-principles investigation of lattice thermal conductivity and structural stability of CH3NH3PbI3 (2018) (0)
Structural stability and electronic properties of AgInS2 under pressure (2016) (0)
Structural and electronic properties of iron doped technetium sulphide (2015) (0)
Lattice thermal conductivity of bulk WSe2 (2018) (0)
Thermoelectric properties of CH3NH3PbI3 investigated using density functional theory and Boltzmann transport calculations (2017) (0)
The influence of many-body properties on the excitation spectra of alloys: a model calculation within CPA (1989) (0)
Mapping Kohn-Sham eigenenergies onto vertical ionization energies and electron affinities (2012) (0)
Transport Properties Of Type-I Sn Clathrates (2017) (0)
Identity for the second functional derivative of the density functional Hartree plus exchange-correlation functional. (2011) (0)
Remarkable relations for the expectation values of simultaneous action of the kinetic and potential energy operators on Schrodinger wavefunctions (2001) (0)
First principles investigation of structural, elastic, electronic and optical properties of Barium (2019) (0)
A density functional (PBE, PBEsol, HSE06) study of the structural, electronic and optical properties of the ternary compounds AgAlX2 (X = S, Se, Te) (2015) (0)
Investigation of Thermoelectric Properties of CH3NH3PbI3: Density Functional Theory and Boltzmann Transport Calculations (2018) (0)
Ab initio study of phonon dispersion and thermodynamic properties of pure and doped pyrites (2017) (0)
First-principles study of structural stability, electronic properties and lattice thermal conductivity of KAgX (X = S, Se, Te) (2019) (0)
Structural and electronic properties of MX3 (M = Ti, Zr and Hf; X = S, Se, Te) from first principles calculations (2015) (0)
Polarizability from occupied wavefunctions (1993) (0)
Quasiparticle band structure and optical properties of α-MnO2: a beyond density functional theory investigation (2018) (0)
The relationship between the density functional Hartree-plus-exchange-correlation potential for an integer N-electron and (N-1)-electron system (2011) (0)
A density functional theory analysis of the mechanical and dynamic stability and thermodynamic properties of pyrite-type ZnSe2 and ZnTe2 (2019) (0)
A theoretical investigation of structural, mechanical, electronic and thermoelectric properties of orthorhombic CH3NH3PbI3 (2018) (0)
Thermoelectric properties of CdGa2O4 spinel (2019) (0)
First-principles study of structural, mechanical, dynamical stability, electronic and optical properties of orthorhombic CH3NH3SnI3 under pressure (2019) (0)
Exact Kohn-Sham Density Functional Theory on a Lattice (2018) (0)
First principle study of structural, thermal and electronic properties of the chalcopyrites AlAgX2(X=S,Se,Te) (2015) (0)
Identity for the DFT correlation functional (2011) (0)
Ju l 2 01 1 Equation satisfied by electron-electron mutual Coulomb repulsion energy density functional (2011) (0)
A Theoretical Investigation of the Stability, Electronic, Optical, and Thermoelectric Properties of BaLiP (2021) (0)
First principles calculations of the thermoelectric properties of α-MnO2 and β-MnO2 (2018) (0)
Quantum mechanical ab initio calculations of the structural, electronic and optical properties of bulk gold nitrides (2015) (0)
Lattice thermal conductivity of bulk PtTe2 and PtSe2 (2019) (0)
Structural, stability and thermoelectric properties for the monoclinic phase of NaSbS2 and NaSbSe2: A theoretical investigation (2019) (0)
A density functional theory study of the thermoelectric properties of K3AuO (2020) (0)
Approximate kinetic-energy functionals (1997) (0)

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What Schools Are Affiliated With Daniel Pieter Joubert?

Daniel Pieter Joubert is affiliated with the following schools:

University of the Witwatersrand