Approaching the Hartree-Fock limit by perturbative methods.
نویسندگان
چکیده
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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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 130 23 شماره
صفحات -
تاریخ انتشار 2009