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13 results in Authors: Yannick J. Franzke

Theoretical and Computational Chemistry

Working Paper

Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy

Yannick J. Franzke

Version 1 posted 08 December 2022

205

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Inorganic Chemistry

Working Paper

Comments on “Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?”

Benjamin Peerless, Andreas Schmidt, Yannick J. Franzke, Stefanie Dehnen

Version 2 posted 27 February 2024

410

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Theoretical and Computational Chemistry

Working Paper

Beyond Electrons: Correlation and Self-Energy in Multicomponent Density Functional Theory

Christof Holzer, Yannick J. Franzke

Version 2 posted 16 February 2024

273

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Theoretical and Computational Chemistry

Working Paper

A Local Hybrid Exchange Functional Approximation from First Principles

Christof Holzer, Yannick J. Franzke

Version 1 posted 24 May 2022

266

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Theoretical and Computational Chemistry

Working Paper

Current density functional framework for spin–orbit coupling

Christof Holzer, Yannick J. Franzke, Ansgar Pausch

Version 2 posted 02 September 2022

345

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Citations

Theoretical and Computational Chemistry

Working Paper

Impact of the current density on paramagnetic NMR properties

Yannick J. Franzke, Christof Holzer

Version 1 posted 17 June 2022

118

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Theoretical and Computational Chemistry

Working Paper

Quasi-Relativistic Calculation of EPR g-Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance

Yannick J. Franzke, Jason M. Yu

Version 1 posted 22 November 2021

464

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Citations

Theoretical and Computational Chemistry

Working Paper

Paramagnetic NMR Shielding Tensors Based on Scalar Exact Two-Component and Spin-Orbit Perturbation Theory

Florian Bruder, Yannick J. Franzke, Florian Weigend

Version 2 posted 14 June 2022

326

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Citations

Theoretical and Computational Chemistry

Working Paper

Hyperfine Coupling Constants in Local Exact Two-Component Theory

Yannick J. Franzke, Jason M. Yu

Version 2 posted 15 November 2021

704

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Theoretical and Computational Chemistry

Working Paper

Zero-Field Splitting Parameters within Exact Two-Component Theory and Modern Density Functional Theory Using Seminumerical Integration

Florian Bruder, Yannick J. Franzke, Christof Holzer, Florian Weigend

Version 2 posted 11 September 2023

194

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13 results in Yannick J. Franzke in Authors: Yannick J. Franzke

Reducing Exact Two-Component Theory for NMR Couplings to a One-Component Approach: Efficiency and Accuracy

Comments on “Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?”

Beyond Electrons: Correlation and Self-Energy in Multicomponent Density Functional Theory

A Local Hybrid Exchange Functional Approximation from First Principles

Current density functional framework for spin–orbit coupling

Impact of the current density on paramagnetic NMR properties

Quasi-Relativistic Calculation of EPR g-Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance

Paramagnetic NMR Shielding Tensors Based on Scalar Exact Two-Component and Spin-Orbit Perturbation Theory

Hyperfine Coupling Constants in Local Exact Two-Component Theory

Zero-Field Splitting Parameters within Exact Two-Component Theory and Modern Density Functional Theory Using Seminumerical Integration

13 results in Authors: Yannick J. Franzke