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The effect of Fourier series truncation errors on the electron density distribution of LiMn2O4
The effect of Fourier series truncation errors on the electron density distribution of LiMn2O4
2005
Nobuo Ishizawa
Kenji Tateishi
D.J. du Boulay
Keywords:
Computational chemistry
Crystallography
Fourier series
Chemistry
Truncation error (numerical integration)
Molecular dynamics
Truncation error
Electron density
Computational physics
electron density distribution
Correction
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