Thursday, November 19, 2009

Coupled clusters@GAMESS

Dear Santa!
I'm really sad because of absence of PCM interface in coupled-clusters. Also I'd like to have G3MP2 for open-shell structures and less memory-confusing coupled clusters code. Oh, forgotten: parallelisation of cc for open-shell systems))
Yours, Nikita Khlestov)

Diary.ru

I've got a blog in Russian. It is hosted @diary.ru.

RXN

RXN is an abbreviation for "reaction". Really, I was surprised of seeing some unusual pictograms like deltaHrxn in a JACS article, so 20 minutes of my time were wasted for googling "Hrxn". Now, I think I was really stupid than.

BTW, pdts=products.
BTW, BTW=by the way))