[Wien] inclusion of LYBP or any in exchange correlation for biological systems

physics phys wien.phy at gmail.com
Fri Feb 4 12:28:16 CET 2011


Dear Pro Blaha and others!
                                        Whether there is any scope for
including the LYBP or any other approximation for the exchange correlation
which suits best for the biological molecules electronic structure
calculations...
Please SUGGEST the best!!!
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