[molpro-user] Extra function on Atom
jyotirmoy001ray at gmail.com
Thu Oct 30 06:33:07 GMT 2014
I have faced a problem in Molpro 2012. I want to add extra diffused
function on H and N using aug-cc-pVDZ basis set. Can anyone please tell me
how to rewrite the aug-cc-pDVZ with some (suppose extra p orbital) extra
function on H and N.
*Jyotirmoy RayInt. PhD. studentSGR's labInorganic & Physical Chemistry
UnitIndian Institute of Science, BangalorePin-560 012Mobile No. :
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