Second-Order Magnetic Properties in Paramagnetic Molecules From a Current Density Formulation Including Scalar Relativistic Effects

arXiv:2603.24467 · quant-ph · Submitted 2026-03-25 · Read on arXiv

quant-ph

Submitted: 2026-03-25

Updated: 2026-09-23

Terminology

• Quantization — 8× in this paper · explained in 12 episodes
• Anisotropy — 6× in this paper · explained in 3 episodes
• Accuracy — 5× in this paper · explained in 1 episode
• Consistency — 5× in this paper · explained in 3 episodes
• Zero-Field Splitting — 4× in this paper
• Zeroth-Order Regular Approximation — 4× in this paper
• Benchmark — 3× in this paper · explained in 2 episodes
• Decoupling — 3× in this paper · explained in 2 episodes
• Continuous Set of Gauge Transformations — 2× in this paper
• Degeneracy — 2× in this paper · explained in 3 episodes
• Generalization — 2× in this paper · explained in 13 episodes
• Generalized Kohn-Sham — 2× in this paper
• Heavy-Atom Light-Atom — 2× in this paper
• Alignment — 1× in this paper · explained in 1 episode
• Benchmarking — 1× in this paper · explained in 3 episodes
• Core — 1× in this paper · explained in 2 episodes
• DFT Calculations — 1× in this paper · explained in 2 episodes
• Density Functional Theory — 1× in this paper
• In Generalized Hartree-Fock — 1× in this paper
• Robustness — 1× in this paper · explained in 5 episodes
• Spin-Orbit Coupling (SOC) — 1× in this paper · explained in 3 episodes

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