Matthias Ernzerhof
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Matthias Ernzerhofchemistry Degrees
Chemistry
#3684
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#4723
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Computational Chemistry
#36
World Rank
#36
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Chemistry Physics
Matthias Ernzerhof's Degrees
- PhD Physics Université de Montréal
- Masters Physics Université de Montréal
- Bachelors Physics Université de Montréal
Why Is Matthias Ernzerhof Influential?
(Suggest an Edit or Addition)Matthias Ernzerhof'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
- Hybrid functionals based on a screened Coulomb potential (2003) (11669)
- Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] (1997) (9885)
- Rationale for mixing exact exchange with density functional approximations (1996) (4161)
- Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] (2006) (3837)
- Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional (1999) (2995)
- Perdew, Burke, and Ernzerhof Reply: (1998) (712)
- Generalized gradient approximation to the angle- and system-averaged exchange hole (1998) (331)
- Local hybrid functionals (2003) (249)
- The adiabatic connection method: a non-empirical hybrid (1997) (192)
- A general multireference configuration interaction gradient program (1992) (170)
- COUPLING-CONSTANT DEPENDENCE OF ATOMIZATION ENERGIES (1997) (149)
- Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging (1998) (145)
- Construction of the adiabatic connection (1996) (143)
- Distributions and averages of electron density parameters: Explaining the effects of gradient corrections (1997) (117)
- Why the generalized gradient approximation works and how to go beyond it (1997) (111)
- The meta-GGA functional: Thermochemistry with a kinetic energy density dependent exchange-correlation functional (2000) (100)
- On-Top Pair-Density Interpretation of Spin Density Functional Theory, with Applications to Magnetism (1997) (94)
- Source and sink potentials for the description of open systems with a stationary current passing through. (2007) (74)
- Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences (1998) (73)
- Kinetic energy density dependent approximations to the exchange energy (1999) (69)
- Electron Transmission through Aromatic Molecules. (2006) (68)
- Side-chain effects in molecular electronic devices. (2005) (59)
- Mechanism of a molecular electronic photoswitch (2005) (52)
- Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional. (2004) (49)
- Density Functionals: Where Do They Come from, Why Do They Work? (1996) (48)
- Long-range asymptotic behavior of ground-state wave functions, one-matrices, and pair densities (1996) (47)
- MIXING EXACT EXCHANGE WITH GGA: WHEN TO SAY WHEN (1998) (41)
- A simple model of molecular electronic devices and its analytical solution. (2007) (40)
- Calculating the Lifetimes of Metastable States with Complex Density Functional Theory. (2012) (38)
- Challenge of creating accurate and effective kinetic-energy functionals (2001) (37)
- Validity of the Extended Koopmans' Theorem. (2009) (35)
- Reversibility and transport properties of dithienylethene photoswitches. (2009) (32)
- Communication: A non-empirical correlation factor model for the exchange-correlation energy. (2014) (31)
- Difficulties in the calculation of electron spin resonance parameters using density functional methods (1994) (29)
- Local and gradient-corrected density functionals (1996) (29)
- Design of exchange-correlation functionals through the correlation factor approach. (2015) (28)
- Ab initio study of ladder-type polymers : Polythiophene and polypyrrole (2006) (26)
- The shell model for the exchange-correlation hole in the strong-correlation limit. (2016) (25)
- Density functional theory of complex transition densities. (2006) (24)
- Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz. (2008) (24)
- Zero-voltage conductance of short gold nanowires. (2004) (23)
- Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit. (2015) (23)
- The role of the kinetic energy density in approximations to the exchange energy (2000) (22)
- The zero-voltage conductance of nano-graphenes: Simple rules and quantitative estimates (2013) (22)
- Simple orbital theory for the molecular electrician. (2011) (21)
- Peierls instability in carbon nanotubes: A first-principles study (2010) (20)
- Molecular conductance obtained in terms of orbital densities and response functions. (2009) (19)
- Density functional theory, the exchange hole, and the molecular bond (1996) (17)
- Correlation effects in molecular conductors. (2011) (16)
- Open-system Kohn-Sham density functional theory. (2012) (15)
- Approximating the exchange energy through the nonempirical exchange-factor approach (2014) (15)
- Synthesis of oxazolidinones: rhodium-catalyzed C-H amination of N-mesyloxycarbamates. (2017) (14)
- Modeling of molecular photocells: Application to two-level photovoltaic system with electron-hole interaction. (2016) (14)
- Current transport through molecular electronic devices (2003) (14)
- Functionals of quantities other than the electron density: Approximations to the exchange energy (2002) (13)
- Equiconducting molecular electronic devices. (2010) (13)
- The impact of long-range electron-hole interaction on the charge separation yield of molecular photocells. (2017) (13)
- Simple model of a coherent molecular photocell. (2016) (12)
- Bond dissociation and correlation effects in molecular electronic devices. (2008) (12)
- A Density Functional Method for the Calculation of the Zero-Voltage Conductance of Molecular Electronic Devices (2005) (12)
- On the calculation of first‐order properties: Expectation value versus energy derivative approach (1992) (11)
- Quantum modeling of two-level photovoltaic systems (2017) (11)
- Perspective on “Inhomogeneous electron gas” (2000) (11)
- Approximate density functionals applied to molecular quantum dots. (2005) (10)
- A Mechanistic Study of the Stereochemical Outcomes of Rhodium‐Catalysed Styrene Aziridinations (2020) (10)
- DRIVING OUT THE SELF-INTERACTION ERROR (1998) (9)
- Rhodium(ii)-catalyzed C–H aminations using N-mesyloxycarbamates: reaction pathway and by-product formation (2018) (9)
- Surface Plasmon Polariton-Controlled Molecular Switch (2018) (9)
- The correlation factor model for the exchange-correlation energy and its application to transition metal compounds. (2019) (8)
- Extension of the source-sink potential (SSP) approach to multichannel quantum transport. (2012) (8)
- Conjugated Molecules Described by a One-Dimensional Dirac Equation. (2010) (8)
- Energy derivative versus expectation value approach: the dipole moment of CO (1993) (7)
- Generalized gradient approximation to the hole around an electron (1996) (6)
- The slowly-varying noninteracting electron gas in terms of its kinetic energy density (2000) (6)
- Construction of self-interaction-corrected exchange-correlation functionals within the correlation factor approach. (2019) (6)
- Hybrid methods: Combining density functional and wavefunction theory (1998) (6)
- Constructing and representing exchange-correlation holes through artificial neural networks. (2021) (6)
- Functionals of the square kinetic energy density (2002) (5)
- Coherent molecular transistor: control through variation of the gate wave function. (2014) (4)
- Impact of offset energies on the yield of interfacial charge separation in molecular photocells. (2018) (4)
- Rhodium-Catalyzed Sulfimidation Reactions: A Computational Study (2021) (4)
- RELATIVE STABILITY OF THE PLANAR AND BUTTERFLY-LIKE STRUCTURES OF CYCLIC P2O2 (1996) (4)
- Non-Hermitian quantum mechanics and exceptional points in molecular electronics. (2020) (4)
- The correlation factor approach: Combining density functional and wave function theory. (2020) (4)
- Fourth-order series expansion of the exchange hole (2017) (3)
- Why Density-Gradient Corrections Improve Atomization Energies and Barrier Heights (1998) (3)
- Moments of the quadrupole oscillator strength distribution for O2, N2, CO, HF, HCl, N2O, CO2, OCS, CS2 and C2H2: ab initio sum rule calculations (1996) (2)
- EPJ Photovoltaics O pen A ccess Quantum modeling of two-level photovoltaic systems (2017) (1)
- Extending the source-sink potential method to include electron-nucleus coupling. (2021) (1)
- The fourth-order expansion of the exchange hole and neural networks to construct exchange-correlation functionals. (2022) (0)
- Extension of the Source-Sink Potential (SSP) approach for multi-channel conductance calculations (2010) (0)
- A simple model for the description of correlation effects in molecular conductors (2009) (0)
- Electron transport described in terms of the Dirac equation (2010) (0)
- Peierls Instability in Carbon Nanotubes (2010) (0)
- Generating Exchange-Correlation Functionals with a Simplified, Self-Consistent Correlation Factor Model. (2023) (0)
- Chapter 30 Local and Gradient-Corrected Density Functionals (2009) (0)
- Surface Plasmon Polariton-Controlled Molecular Switch C (2018) (0)
- The factorization ansatz for non-local approximations to the exchange-correlation hole. (2022) (0)
- Hartree-Fock and Kohn-Sham method for open systems (2010) (0)
- Relative Stability of the Planar and Butterfly-Like Structures of Cyclic P2O2. (1996) (0)
- Density-functional study of Peierls instability in carbon nanotubes using hybrid functionals (2007) (0)
- Construction of an analytic exchange-correlation hole for the Perdew-Burke-Ernzerhof GGA (2008) (0)
- Molecular orbital theory of ballistic electron transport through molecules (2009) (0)
- Quantum transport in molecular electronic devices described with complex source and sink potentials (2008) (0)
- Strong correlation effects in diatomic molecular electronic devices (2008) (0)
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What Schools Are Affiliated With Matthias Ernzerhof?
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