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PNO-LMP2 and PNO-LMP2-F12

New parallel linear scaling PNO-LMP2 and PNO-LMP2-F12 programs as described in

H.-J. Werner, G. Knizia, C. Krause, and M. Schwilk, J. Chem. Theory Comput., 11, 484 (2015);
Q. Ma and H.-J. Werner, J. Chem. Theory Comput., DOI: 10.1021/acs.jctc.5b00843 (2015);
C. Köppl and H.-J. Werner, J. Chem. Phys., 142, 164108 (2015).

are available in version 2015. PNO-LCCSD(T) is currently under development and will be made freely available to licensees of Molpro 2015 at a later stage.



molpro@molpro.net 2017-11-24