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7 results in Authors: Stefan Vuckovic

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

151

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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

701

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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

640

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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

462

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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

674

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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

206

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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

346

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7 results in Stefan Vuckovic in Authors: Stefan Vuckovic

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

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

Transferable diversity – a data-driven representation of chemical space

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

Real-space machine learning of correlation density functionals

7 results in Authors: Stefan Vuckovic