| 1:36:45 AM PDT - Fri, Apr 25th 2014 |
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Hi Huub,
1) Table S3 is in error, it is missing the 2d to 1d contraction. The paper itself (page 1080) correctly states that the K,Ca pcseg-0 has 2d to 1d contraction.
2) Yes, I maneged to avoid a very long supplementary material containing the basis sets :-) BSE will be the main distribution channel, but I have also supplied the basis sets to selected program packages, where they may be incorporated into the code in future releases.
Thanks for your support.
Frank
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