The Impact of Magnetic Fields on Li₂ and K₂ Molecular Interactions: A Quantum Perspective

Abstract This study explores how magnetic fields alter the molecular interactions of Lithium (Li₂) and Potassium (K₂) dimers, affecting bonding, spin states, and energy levels. Using quantum chemistry models and computational methods (DFT, CCSD(T), Full CI), we analyze how Zeeman splitting and Feshbach resonance enable controlled molecular transformations. Key findings include:✅ Magnetic fields stabilize high-spin states, favoring triplet-state molecules.✅ Bond lengths and orbital configurations shift depending on field strength.✅ Molecules can be artificially bound under extreme fields (~10⁵ Tesla).✅ Applications in quantum computing, spintronics, and energy storage are promising. Commercially, temporary and permanent modifications of Li₂ and K₂ enable tunable qubits, advanced batteries, and quantum-controlled materials. These findings lay the groundwork for new quantum technologies and high-field chemistry innovations.