using basis including px and not py and pz....

Richard Christie richard at pro3.chem.pitt.edu
Sun Apr 13 17:10:28 BST 2003


Hello MOLPRO users,

Is it possible within MOLPRO to employ a basis comprising of only one
orientation of the degenerate AOs, i.e. use only px and not py and pz?

thanks,
Richard Christie




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