LazyMp¶
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class
adcc.LazyMp(hf, caching_policy=<adcc.caching_policy.DefaultCachingPolicy object>)¶ Bases:
libadcc.LazyMpAttributes Summary
mp2_densitymp2_diffdmReturn the MP2 differensce density in the MO basis. mp2_dipole_momentMethods Summary
density([level])Return the MP density in the MO basis with all corrections up to the specified order of perturbation theory dipole_moment([level])Return the MP dipole moment at the specified level of perturbation theory. energy([level])Obtain the total energy (SCF energy plus all corrections) at a particular level of perturbation theory. Attributes Documentation
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mp2_density¶
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mp2_diffdm¶ Return the MP2 differensce density in the MO basis.
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mp2_dipole_moment¶
Methods Documentation
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density(level=2)¶ Return the MP density in the MO basis with all corrections up to the specified order of perturbation theory
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dipole_moment(level=2)¶ Return the MP dipole moment at the specified level of perturbation theory.
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energy(level=2)¶ Obtain the total energy (SCF energy plus all corrections) at a particular level of perturbation theory.
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