Stefan Vuckovic

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University of Amsterdam

Netherlands

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Accurate Density Functional Theory Framework for all correlation regimes

Open Date: 2018-09-01

Close Date: 2020-09-01

Articles (15)

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Collaborators (3)

Paola Gori-Giorgi

NETHERLANDS

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Klaas Giesbertz

Assistent Professor

University of Amsterdam

NETHERLANDS

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Geert-Jan Kroes

Leiden University

NETHERLANDS

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Stefan Vuckovic

Research Interests

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Recent Grants

Articles (15)

Regularized and Opposite Spin-Scaled Functionals from Møller–Plesset Adiabatic Connection─Higher Accuracy at Lower Cost

Density functionals based on the mathematical structure of the strong‐interaction limit of DFT

Nonlocal Functionals Inspired by the Strongly Interacting Limit of DFT: Exact Constraints and Implementation

Extending density functional theory with near chemical accuracy beyond pure water

Using AI to navigate through the DFA zoo

Quantification of Geometric Errors Made Simple: Application to Main-Group Molecular Structures

Density-Corrected DFT Explained: Questions and Answers

Noncovalent Interactions from Models for the Møller-Plesset Adiabatic Connection

Density Sensitivity of Empirical Functionals

Large coupling-strength expansion of the Møller–Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms

MAP: An MP2 Accuracy Predictor for Weak Interactions from Adiabatic Connection Theory

Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not

Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not

Quantifying and Understanding Errors in Molecular Geometries

Quantifying and Understanding Errors in Molecular Geometries

Collaborators (3)

Paola Gori-Giorgi

Klaas Giesbertz

Geert-Jan Kroes

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