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  1. Series saucy
  2. Template “ddtp-ubuntu-universe”
  3. French (fr)
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59202.
It can compute energies and gradients for the following methods:
* Closed shell and general restricted open shell Hartree-Fock (RHF/ROHF)
(including analytical hessians for RHF)
* Closed shell Moeller-Plesset pertubation theory (MP2)
* Complete active space SCF (CASSCF)
* Coupled-cluster singles doubles (CCSD)
* Coupled-cluster singles doubles with pertubative triples (CCSD(T))
(only for unrestricted (UHF) reference wavefunctions)
 
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Located in Package: psi3
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This translation is managed by Ubuntu French Translators, assigned by Ubuntu Translators.

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