Ansgar Pausch

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Netherlands

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Relativistic Quantum Chemistry in Finite Magnetic Fields

Open Date: 2023-01-01

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Articles (14)

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2025

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2023

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2022

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2022

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2022

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2021

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2021

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2021

Collaborators (6)

Sonia Coriani

Professor

Technical University of Denmark

DENMARK

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Fabian Pauly

Full Professor

University of Augsburg

GERMANY

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Josefine Hvarregaard Andersen

KTH Royal Institute of Technology

SWEDEN

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Trygve Helgaker

Professor

University of Oslo

NORWAY

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Tim Schrader

Friedrich Schiller University Jena

GERMANY

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Ivan Šalitroš

Brno University of Technology

CZECH REPUBLIC

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Ansgar Pausch

Research Interests

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Contact this professor

Recent Grants

Articles (14)

Gradients of Ground and Excited States for CC2 and ADC(2) in Polarizable Continuum and Atomistic Embeddings within a Generalized PTED Coupling Scheme

Novel pseudomomentum-translational sum rule for the molecular Berry curvature

Application of the noncollinear Scalmani–Frisch formalism to current density functional theory

An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic Structure

Efficient approximate screening techniques for integrals over London atomic orbitals

Consistent Analytical Second Derivatives of the Kohn–Sham DFT Energy in the Framework of the Conductor-Like Screening Model through Gaussian Charge Distributions

TURBOMOLE: Today and Tomorrow

Molecular dynamics of linear molecules in strong magnetic fields

Current density functional framework for spin–orbit coupling

Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields

Linear Response of Current-Dependent Density Functional Approximations in Magnetic Fields

Chiral Resolution of Spin‐Crossover Active Iron(II) [2x2] Grid Complexes

Molecular point groups and symmetry in external magnetic fields

The GW/BSE Method in Magnetic Fields

Collaborators (6)

Sonia Coriani

Fabian Pauly

Josefine Hvarregaard Andersen

Trygve Helgaker

Tim Schrader

Ivan Šalitroš

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