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Gaussian Basis Set

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2 results in Keywords: Gaussian Basis Set

Theoretical and Computational Chemistry

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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1

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Theoretical and Computational Chemistry

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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