List of works - Gábor I Csonka

A meta-GGA Made Free of the Order of Limits Anomaly

scientific article published on 23 May 2012

A simple but fully nonlocal correction to the random phase approximation.

scientific article

Accurate Complete Basis Set Extrapolation of Direct Random Phase Correlation Energies.

scientific article published on 7 July 2015

Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

scientific article published on 11 March 2011

Accurate Diels-Alder reaction energies from efficient density functional calculations.

scientific article

Accurate, precise, and efficient theoretical methods to calculate anion-π interaction energies in model structures

scientific article published on 09 December 2014

Application of a Dual-Hybrid Direct Random Phase Approximation to Water Clusters

scientific article published on 29 August 2016

Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics

scientific article published on 01 December 2005

Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules

scientific article published on 01 December 2005

Comparison of different force fields for the study of disaccharides.

scientific article published on 22 August 2009

Conformational analysis of cellobiose by electronic structure theories

article

Construction and application of a new dual-hybrid random phase approximation

scientific article published on 11 September 2015

Construction of a Spin-Component Scaled Dual-Hybrid Random Phase Approximation.

scientific article

Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+

scientific article published on 01 March 2007

Density functionals that recognize covalent, metallic, and weak bonds

scientific article

Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction

scientific article published on 01 June 2007

Electron Density Errors and Density-Driven Exchange-Correlation Energy Errors in Approximate Density Functional Calculations.

scientific article published on 11 September 2017

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

scientific article published on 22 January 2009

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

scientific article published on 29 April 2011

Estimation, computation, and experimental correction of molecular zero-point vibrational energies.

scientific article published in August 2005

Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory

scientific article published on 01 June 2008

Meta-generalized gradient approximation: non-empirical construction and performance of a density functional

scientific article published in March 2007

Perdew et al. Reply:

scientific article published on 5 December 2008

Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

scientific article published on 13 November 2012

Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits

scientific article

Proper gaussian basis sets for density functional studies of water dimers and trimers

scientific article published on 01 November 2005

Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry

scientific article

Regularized Gradient Expansion for Atoms, Molecules, and Solids

scientific article published on 01 April 2009

Restoring the density-gradient expansion for exchange in solids and surfaces

scientific article published on 4 April 2008

Scaling down the Perdew-Zunger self-interaction correction in many-electron regions

scientific article published on 01 March 2006

Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method

scientific article

Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional.

scientific article published on 22 March 2018

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed

scientific article published on 2 March 2009

Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters

scientific article published on 3 October 2012

Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals

scientific article published on 01 November 2006

The RPA Atomization Energy Puzzle

scientific article

Unified Inter- and Intramolecular Dispersion Correction Formula for Generalized Gradient Approximation Density Functional Theory

scientific article published on 01 November 2009

Van der waals coefficients for nanostructures: fullerenes defy conventional wisdom

scientific article published on 05 December 2012

Workhorse semilocal density functional for condensed matter physics and quantum chemistry

scientific article published on 10 July 2009

List of works by Gábor I Csonka

A meta-GGA Made Free of the Order of Limits Anomaly

A simple but fully nonlocal correction to the random phase approximation.

Accurate Complete Basis Set Extrapolation of Direct Random Phase Correlation Energies.

Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation

Accurate Diels-Alder reaction energies from efficient density functional calculations.

Accurate, precise, and efficient theoretical methods to calculate anion-π interaction energies in model structures

Application of a Dual-Hybrid Direct Random Phase Approximation to Water Clusters

Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics

Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules

Comparison of different force fields for the study of disaccharides.

Conformational analysis of cellobiose by electronic structure theories

Construction and application of a new dual-hybrid random phase approximation

Construction of a Spin-Component Scaled Dual-Hybrid Random Phase Approximation.

Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+

Density functionals that recognize covalent, metallic, and weak bonds

Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction

Electron Density Errors and Density-Driven Exchange-Correlation Energy Errors in Approximate Density Functional Calculations.

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

Estimation, computation, and experimental correction of molecular zero-point vibrational energies.

Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory

Meta-generalized gradient approximation: non-empirical construction and performance of a density functional

Perdew et al. Reply:

Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits

Proper gaussian basis sets for density functional studies of water dimers and trimers

Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry

Regularized Gradient Expansion for Atoms, Molecules, and Solids

Restoring the density-gradient expansion for exchange in solids and surfaces

Scaling down the Perdew-Zunger self-interaction correction in many-electron regions

Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method

Simple Modifications of the SCAN Meta-Generalized Gradient Approximation Functional.

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed

Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters

Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals

The RPA Atomization Energy Puzzle

Unified Inter- and Intramolecular Dispersion Correction Formula for Generalized Gradient Approximation Density Functional Theory

Van der waals coefficients for nanostructures: fullerenes defy conventional wisdom

Workhorse semilocal density functional for condensed matter physics and quantum chemistry