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.
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Deng_Approaching_the_Hartree–Fock_2009.pdf||87.75 kB||Adobe PDF|
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