Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

Title
Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 8, Pages 3643-3649
Publisher
American Chemical Society (ACS)
Online
2015-07-10
DOI
10.1021/acs.jctc.5b00456

Ask authors/readers for more resources

Create your own webinar

Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.

Create Now

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started