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7 results in Authors: Stefan Vuckovic

Theoretical and Computational Chemistry

Working Paper

Fully Nonlocal Functionals Along the Adiabatic Connection of Density Functional Theory

Stefan Vuckovic

Version 1 posted 13 February 2019

705

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Theoretical and Computational Chemistry

Working Paper

Range-Separation and the Multiple Radii Functional Approximation Inspired by the Strongly Interacting Limit of Density Functional Theory

Stefan Vuckovic, Tim Gould

Version 1 posted 27 August 2019

647

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Theoretical and Computational Chemistry

Working Paper

Deep Mind 21 functional does not extrapolate to transition metal chemistry

Heng Zhao, Tim Gould, Stefan Vuckovic

Version 1 posted 29 February 2024

494

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Theoretical and Computational Chemistry

Working Paper

Nonlocal functionals inspired by the strongly interacting limit of DFT: exact constraints and implementation

Stefan Vuckovic, Hilke Bahmann

Version 1 posted 27 April 2023

218

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Theoretical and Computational Chemistry

Working Paper

Quantification of geometric errors made simple: application to main-group molecular structures

Stefan Vuckovic

Version 1 posted 16 November 2021

161

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Theoretical and Computational Chemistry

Working Paper

Transferable diversity – a data-driven representation of chemical space

Tim Gould, Bun Chang, Stephen Dale, Stefan Vuckovic

Version 3 posted 29 April 2024

719

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Theoretical and Computational Chemistry

Working Paper

Real-space machine learning of correlation density functionals

Elias Polak, Heng Zhao, Stefan Vuckovic

Version 2 posted 16 September 2024

412

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7 results in Stefan Vuckovic in Authors: Stefan Vuckovic

Fully Nonlocal Functionals Along the Adiabatic Connection of Density Functional Theory

Range-Separation and the Multiple Radii Functional Approximation Inspired by the Strongly Interacting Limit of Density Functional Theory

Deep Mind 21 functional does not extrapolate to transition metal chemistry

Nonlocal functionals inspired by the strongly interacting limit of DFT: exact constraints and implementation

Quantification of geometric errors made simple: application to main-group molecular structures

Transferable diversity – a data-driven representation of chemical space

Real-space machine learning of correlation density functionals

7 results in Authors: Stefan Vuckovic