Loading...

Q-Chem Webinar 7: MP2 Methods in the Q-Chem Software Package

797 views

Loading...

Loading...

Transcript

The interactive transcript could not be loaded.

Loading...

Rating is available when the video has been rented.
This feature is not available right now. Please try again later.
Published on Apr 11, 2013

Q-Chem contains a large collection of MP2 methods, which are the cheapest ways to rigorously incorporate electron correlation (including the van-der-Waals interaction) in an electronic structure calculation. They include the resolution-of-the-identity MP2, scaled-opposite-spin MP2, dual-basis MP2, optimized-orbitals scaled-opposite-spin MP2, etc. In this presentation, we will review these methods, with a special focus on their cost, accuracy and applicability. We will finish with a brief discussion of double-hybrid density functionals (DHDFs). Originally presented by Prof. Daniel Lambrecht, University of Pittsburgh, on March 26, 2013.

Loading...

When autoplay is enabled, a suggested video will automatically play next.

Up next


to add this to Watch Later

Add to

Loading playlists...