Developments and challenges in both correlated and embedded correlated wavefunction theory and algorithms will be presented. Our TIGERCI code that implements reduced scaling multireference methods for molecules has been parallelized and can run in direct mode now, among other algorithmic improvements. This allows large molecules to be treated efficiently within local multireference configuration interaction and averaged coupled pair functional theories.  Embedded correlated wavefunction theory based on our potential functional embedding formalism has proven challenging to implement due to mixed representation issues. Strategies to overcome these problems, along with extensions to time-dependent embedding, will be discussed.

Progress in (embedded) correlated wavefunction methods

248th National Meeting (2014)

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