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Publications by Søren E. B. Nielsen

Exploring Non-Adiabatic Approximations to the Exchange-Correlation Functional of TDDFT

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

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Adiabatic Approximations to Internal Rotation

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Assessment of the Perdew–Burke–Ernzerhof Exchange-Correlation Functional

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Vorticity Expansion Approximation of the Exchange-Correlation Energy Functional in Current Density Functional Theory

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Atomic Polarizability by Semi-Local and Non-Local Density-Functional Approximations

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Numerical Simulations of Solar Spicules: Adiabatic and Non-Adiabatic Studies

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What Is the Accuracy Limit of Adiabatic Linear-Response TDDFT Using Exact ExchangeCorrelation Potentials and Approximate Kernels?

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The Effects of Screening Length in the Non-Local Screened-Exchange Functional

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Influence of the Exchange-Correlation Functional on the Quasi-Harmonic Lattice Dynamics of II-VI Semiconductors

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Density-Functional-Theory Response-Property Calculations With Accurate Exchange-Correlation Potentials

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