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11.10 Examples

This shows the use of default basis sets for H$_2$O:

This is equivalent to the explicit input form

This is an example for using multiple basis sets for density fitting and resolution of the identity

The following two examples yield identical results:

In the latter example, the speciations mp2fit and jkfit, respectively, can be omitted since these contexts are defaults for df_basis and df_basis_exch, respectively. 2018-06-18