Fully relativistic self-consistent field under a magnetic field

Keyphrases

• Magnetic Field 100%
• Self-consistent Field 100%
• Heavy Elements 50%
• Dirac 50%
• Electronic Structure 25%
• Electronic Structure of Molecules 25%
• Parallel Implementation 25%
• Zero Field 25%
• Coulomb 25%
• Density Fitting 25%
• Hartree-Fock Wave Function 25%
• Hartree-Fock Method 25%
• Gauge Invariant 25%
• Small Components 25%
• 2-spinors 25%
• Molecular Integrals 25%
• Magnetic Balance 25%
• Gauge-including Atomic Orbitals 25%

Mathematics

• Magnetic Field 100%
• Electronic State 50%
• Spinor 25%
• wavefunction ψ 25%
• Complex Element 25%
• Basis Function 25%
• Atomic Orbital 25%
• Molecular Integral 25%

Chemistry

• Magnetic Field 100%
• Electronic State 50%
• Atomic Orbital 25%
• Hartree-Fock Method 25%
• Molecular Integral 25%
• Wave Function 25%