University of Cambridge > Talks.cam > Electronic Structure Discussion Group > Excited-state calculations in FCIQMC

  Browse A-Z

Log in

Cambridge users (raven)details Other usersdetails No account?details

Information on

Subscribing to talksdetails Finding a talkdetails Adding a talkdetails Disseminating talksdetails Help and Documentationdetails

Excited-state calculations in FCIQMC

Add to your list(s) Download to your calendar using vCal

If you have a question about this talk, please contact Dr. Mike Towler.

I present an approach to calculate accurate excited-state properties from the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach involves performing multiple FCIQMC simulations which are kept orthogonal by a Gram-Schmidt procedure, and seems to introduce no noticeable bias. I begin with a brief overview of the FCIQMC method before presenting our approach for sampling excited states, and finally present an application to the carbon dimer in multiple basis sets.

This talk is part of the Electronic Structure Discussion Group series.

Tell a friend about this talk:

This talk is included in these lists:

Note that ex-directory lists are not shown.

Other lists

CQIF Blackboard Talk Thin Film Magnetism Group Seminars MEMS seminar Trinity Hall Forum GBR talks An audience with Nic Benns, Film and TV Sequence Director

Other talks

Building cortical networks: from molecules to function Molly Geidel: Mid-Century Liberalism and the Development Film Taking Investment in Education Seriously - Two Part Series Enhancing the Brain and Wellbeing in Health and Disease Determining structures in situ using cryo-electron tomography:enveloped viruses and coated vesicles
 

© 2006-2024 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity