COLUMBUS Totally Explained

Everything about Columbus totally explained

COLUMBUS is a computational chemistry software suite for calculating ab initio molecular electronic structures, designed as a collection of individual programs communicating through files. The programs focus on extended multi-reference calculations of atomic and molecular ground and excited states. Besides standard classes of reference wave functions such as CAS and RAS, calculations can be performed with selected configurations. It makes use of the atomic orbital integrals and gradient routines from the DALTON program. The program is available free of charge under license (including the DALTON license).

Major features

SCF (closed-shell and restricted open-shell), MCSCF (quadratic convergence and state averaging)
Multi-reference CISD for an arbitrary set of reference configurations
Analytic gradients for MCSCF, MR-CISD, MR-ACPF and MR-AQCC
Automatic geometry optimization and saddle-point searches
Spin/orbit configuration interaction

Further Information

Get more info on 'Columbus'.

External Link Exchanges

Do you know how hard it is to get a link from a large encyclopaedia? Well we're different and will prove it. To get a link from us just add the following HTML to your site on a relevant page:

<a href="http://columbus.totallyexplained.com">COLUMBUS Totally Explained</a>

Then simply click through this link from your web page. Our crawlers will verify your link, extract the title of your web page and instantly add a link back to it. If you like you can remove the words Totally Explained and embed the link in article text.
As long as your link remains in place, we'll keep our link to you right here. Please play fair - our crawlers are watching. Your site must be closely related to this one's topic. Any kind of spamming, dubious practises or removing the link will result in your link from us being dropped and, potentially, your whole site being banned.