71.15.-m Methods of electronic structure calculations (see also 31.15.-p Calculations and mathematical techniques in atomic and molecular physics)
- 71.15.Ap Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
- 71.15.Dx Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)
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71.15.Mb Density functional theory, local density approximation, gradient and other corrections
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- 71.15.Nc Total energy and cohesive energy calculations
- 71.15.Pd Molecular dynamics calculations (Car-Parrinello) and other numerical simulations
- 71.15.Qe Excited states: methodology (see also 71.10.Li Excited states and pairing interactions in model systems)
- 71.15.Rf Relativistic effects [see also 31.30.J- Relativistic and quantum electrodynamic (QED) effects in atoms, molecules, and ions]