Error in Hg dyall 4z basis sets.

[Kenneth Dyall]

Dear Dirac users,

An error has been discovered in the dyall.*4z basis sets for Hg. This was a copy/paste error in the f exponent set. To fix the error, replace the first 9 exponents in the f set for Hg with the following 9 exponents in the dyall.v4z, dyall.av4z, dyall.cv4z, dyall.acv4z basis sets; and replace exponents 2 - 10 in the dyall.ae4z and dyall.aae4z basis sets.

1.68192948E+03

5.67566140E+02

2.41660175E+02

1.15945443E+02
5.93846121E+01

3.16007908E+01

1.71340403E+01

9.21325305E+00
4.82670353E+00

Sorry for the inconvenience. No doubt these basis sets will be updated on the Dirac web site soon.

Best,

Ken Dyall.