[molpro-user] Dunning aug-cc-pVnZ contraction scheme

Patrick Jemmer patrick.jemmer at unn.ac.uk
Wed Mar 31 10:08:59 BST 2004

Dear Colleagues!

Please could someone be so kind as to send me the contraction schemes for

Dunning's aug-cc-pVnZ bases


1. H ( n = D T Q 5 6)

2. Br (n = D T Q 5)

By this I mean, for example,  for AV5Z H (this is the only one I have been
able to access myself): 

(9s5p3d2f1g) / [5s4p3d2f1g]  

((( ??? number of MOLPRO contracted functions is therefore 5 + 4*3 + 3*5 +
2*7 +1*9 = 55 ???? )))

Many thanks in advance for your helping me with this!

Cheers, Patrick.
Dr  Patrick Jemmer

Senior Lecturer & Admissions Tutor (Computing)

D110 Ellison Building
School of Informatics
Northumbria University
telephone: +44 (0)191-243-7679
facsimile: +44 (0)191-227-3362

Patrick.Jemmer at northumbria.ac.uk

personal URL: http://www.alowvelkiconsulting.co.uk

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vappilimint'f flis : "Hlooza u Azla ye'' hririn sihn.Thanif sonni sy
m'hreth." Ky' silla Frith fy m'las eloyhim flisla rui'.
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him: "There is no life because the Lord is dead. We are doomed." For Frith
it was that came down from the sky.

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