There's a few of them. ACES II, ACES III (from the Bartlett group in Florida), GAMESS-US (from the Gordon group in Iiowa), there are a handful or more these are just the ones with which I'm most familiar. From my own experience, I find GAMESS to be easier to compile and use, but I have a slight bias towards GAMESS as well.
What are you looking to do with it? CCSD is only good for qualitative descriptions of ground state properties in certain types of systems.
Thanks a lot, I use GAMESS-US, Firefly version, but I am not sure this software is capable of CCSD method. I am interested to look at the structural properties of certain inorganic compounds.
It looks like the firefly version doesn't have the coupled cluster (CC) routines available in it. If you can upgrade to the linux version, there's a lot more available. I've done some CC computations on inorganic and organometallic compounds using GAMESS so it should be able to handle many things.
I'd recommend ORCA. It has all the capabilities you need, runs on multiple OS platforms, and is quite fast. You can find it here:
https://orcaforum.cec.mpg.de/portal.php
Thanks, it is three days now I am learning ORCA software, hope to succeed in it.
Another possibility is Psi4, an open-source code with different CC methods available. It also includes Equations of Motion (EOM) to deal with excited states.
http://www.psicode.org/
Dear Fortunatus, NWChem is another option ( http://www.nwchem-sw.org ). This is open source to run over many cores and it has all features mentioned above for other codes. Good luck
Dear Jorge, thanks. I will try it again though I failed to install it.
NWChem can be a little tricky to install. If you want, I can send you a script I used to install it, though you'll have to check the software and other settings to be set to what you have.
Also, just an aside, GAMESS is the fastest of these for running CC calculations (we have unpublished results so this isn't just me making it up), though any of them will work for analyzing systems near equilibrium. If you want to study reaction pathways, systems away from equilibrium, strongly correlated clusters/molecules, or multiply excited electronic states only a couple of these softwares have methods implemented which can deal with these types of systems reasonably, giving results that are physically meaningful (e.g., CCSD(T) will not work in these cases).
Dear Jared, I will be grateful if you send me the script for NWChem you used to install through my email address [email protected]. I will consider it.
Oooh thank you so much, I have received it. I will contact you for any update.
Dear Jared, I also tried several time to compile NWChem but failed. Would you please send me your script used to install that?
Email: [email protected]
Thanks in advance.
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