CCL: negative eigen value for virtual orbital reg

[Thomas Manz <thomasamanz#%#gmail.com>]

 Sent to CCL by: Thomas Manz [thomasamanz- -gmail.com]
 Rajagopala Reddy,
 I think there are situations where slightly negative eigenvalues
 appear for the unoccupied orbitals. I expect this would be the case
 for the F atom, for example, since adding another electron would be
 highly favorable.
 Sincerely,
 Tom Manz
 On Sat, Mar 20, 2010 at 11:39 PM, Rajagopala Reddy Seelam
 rajagopalaseelam^^^gmail.com <owner-chemistry**ccl.net> wrote:
 >
 > Sent to CCL by: "Rajagopala Reddy Seelam"
 [rajagopalaseelam(~)gmail.com]
 > Dear CCL members,
 >
 > Can a virtual(unoccupied) orbital have negative eigen value.Generally
 occupied
 > orbitals have negative eigen value and unoccupied orbitals have positive
 eigen
 > values.If we get any negative eigen values for unoccupied orbitals was that
 > mean optimization not done correctly.Can any one of you please clarify my
 > doubt.
 >
 > Thank you so much
 >
 > Regards,
 > Rajagopala Reddy
 >
 >
 >
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