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34.1 The gradient program
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33.6.2 SO calculation for
34 ENERGY GRADIENTS AND GEOMETRY OPTIMIZATION
Subsections
34.1 The gradient program
34.2 Geometry optimization
34.3 Examples
34.4 Vibrational Frequencies (
FREQUENCIES
)
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002