Efficient multireference perturbation theory without high-order reduced density matrices
نویسندگان
چکیده
منابع مشابه
Considerations in constructing a multireference second-order perturbation theory
For a closed shell ground state with no neardegeneracy effects, a Hartree-Fock calculation followed by second-order many-body perturbation theory, MBPT2, provides reasonably accurate results at low cost in computer time. Hence, for a multireference second-order perturbation theory, we would like a method that reduces to the MBPT2 method for a single closed shell reference state and which retain...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/5.0023353