Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00259
Abstract: An efficient analytical energy gradient algorithm for the cluster-in-molecule (CIM) second order Møller-Plesset perturbation theory (MP2) method is presented. In our algorithm, the gradient contributions from the nonseparable term of the two-body density matrix on… read more here.
Keywords: analytical energy; mp2; geometry; mp2 method ... See more keywords
An Approach to Constructing Analytical Energy Function for Synchronous Generator Models With Subtransient Dynamics
Sign Up to like & getrecommendations! Published in 2018 at "IEEE Transactions on Power Systems"
DOI: 10.1109/tpwrs.2018.2829887
Abstract: Direct methods have been a promising development for decades, receiving, however, less attention recently. One of the reasons is the limited capacity to include more realistic models of the power systems equipment. This paper derives… read more here.
Keywords: energy function; synchronous generator; analytical energy; energy ... See more keywords