Approaching the Hartree–Fock limit by perturbative methods
نویسندگان
چکیده
منابع مشابه
Approaching the Hartree-Fock limit by perturbative methods.
We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the complete-basis limit. The best method appears to offer quadratic error reduction and preliminary numerical applications demonstrate that remarkably accurate Hartree-Fock energies can be obtained.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2009
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3152864