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<DIV>Dear all,</DIV>
<DIV> I calculate the potential
energy curve of KBe. I used all-electron basis sets for the both atoms. I
used core 4,1,1,0 to frozen the 1s22s22p6 of K and
1s2 of Be electrons. However, the reviewer believes that the 1s2 of Be should
not be frozen as small-core approximation. How can I release 1s2 of Be
but still core 1s22s22p6 of K? Any idea are welcome! Thanks
in advance! </DIV>
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<DIV>Chuan-Lu </DIV>
<DIV>2013-06-15</DIV>
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