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Error Estimates of Some Numerical Atomic Orbitals in Molecular Simulations
42116 4729 Pages:125-146 -
Layer-Splitting Methods for Time-Dependent Schrödinger Equations of Incommensurate Systems
49890 3329 Pages:1474-1498 -
A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations
48367 3369 Pages:1541-1569
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