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SOPPA and SOPPA(CCSD) calculations

The Dalton program system can also be used to perform Second-Order Polarization Propagator Approximation (SOPPA) calculations [49,51,62,63] or Second-Order Polarization Propgator Approximation with Coupled Cluster Singles and Doubles Amplitudes [SOPPA(CCSD)] calculations of optical properties like singlet or triplet excitation energies and oscillator strenghts as well as the following list of electric and magnetic properties

as well as all the linear response functions described in chapter 12.



Subsections

Dalton Manual - Release 1.2.1