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Can wavefunctions derived from calculations using Effective Core Potentials (ECPs) be used?

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Can wavefunctions derived from calculations using Effective Core Potentials (ECPs) be used?

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Yes, as long as the wavefunctions are AIM Extended Wavefunction files (.wfx files) that include additional core density function data for the ECP-modeled core electrons. More information can be found here. Note that Gaussian 09 B.01 and later support writing .wfx files and automatically writes and data sections to the .wfx file when the wavefunction is based on an ECP calculation.

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