Open shell LCC in the future?

  • bkwx97
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6 years 8 months ago #404 by bkwx97
Open shell LCC in the future? was created by bkwx97
This is a question about a possible future feature. Are there any plans to extend the local coupled cluster to open shell reference functions? I just discovered that the local coupled cluster in MRCC could be used in conjunction with the higher order coupled clustered methods (CCSDT, CCSDT(Q)) when used with an RHF reference. Are there any plans on your end to develop or implement an open shelled version?

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  • kallay
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6 years 8 months ago #405 by kallay
Replied by kallay on topic Open shell LCC in the future?
It is under way. It is coming in a year or so.

Best regards,
Mihaly Kallay

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