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The accuracy of density functionals for electric field gradients. Test calculations for ScX, CuX and GaX (X=F, Cl, Br, I, H and Li)
Bast, Radovan, Schwerdtfeger, PeterVolume:
119
Year:
2003
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1597674
File:
PDF, 335 KB
english, 2003