articleTop 1% cited
Numerical integration for polyatomic systems
Journal of Computational Physics · 1992 · Vol. 99(1) · pp. 84–98
G. te Velde✉(Vrije Universiteit Amsterdam)Evert Jan Baerends(Vrije Universiteit Amsterdam)
Advanced Chemical Physics StudiesAtomic and Molecular PhysicsInorganic Fluorides and Related CompoundsPolyatomic ionConvergence (economics)Numerical integrationSymmetry (geometry)GaussianProduct (mathematics)Numerical analysisComputer sciencePhysicsStatistical physics
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References
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Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials
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Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
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