Intracule functional models: I. Angle-corrected correlation kernels
We explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree-Fock-Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.
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|Source:||Physical Chemistry Chemical Physics|
|01_Dumont_Intracule_functional_models:_2007.pdf||160.64 kB||Adobe PDF||Request a copy|
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