Performance of different density functionals for the calculation of vibrational frequencies with vibrational coupled cluster method in bosonic representation
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2177-9
Abstract: AbstractAn accurate description of anharmonic vibrational frequencies of polyatomic molecules is a challenging task. It requires an ab initio method to solve the vibrational Schrödinger equation along with extensive electronic structure calculations to generate the… read more here.
Keywords: method; coupled cluster; cluster method; vibrational frequencies ... See more keywords
Cluster Method of Constructing Bethe Approximation for the Ising Model of a Dilute Magnet
Sign Up to like & getrecommendations! Published in 2018 at "Russian Physics Journal"
DOI: 10.1007/s11182-018-1285-x
Abstract: The paper offers an interpretation of Bethe approximation based on comparison of spin clusters of different sizes on the Cayley tree. Based on this interpretation, the authors suggested the method to construct Bethe approximation for… read more here.
Keywords: approximation; method constructing; magnet; cluster method ... See more keywords
The analysis of the operating performance of a chiller system based on hierarchal cluster method
Sign Up to like & getrecommendations! Published in 2017 at "Energy and Buildings"
DOI: 10.1016/j.enbuild.2016.12.076
Abstract: Abstract A simulation model of chiller system containing four sets of chillers is built in Energyplus 7.0 simulation software. Based on the simulation data of chiller system, a data-mining tool − hierarchical cluster method is… read more here.
Keywords: chiller system; chiller; cluster method;
Implementation of the Coupled-Cluster Method with Single, Double, and Triple Excitations using Tensor Decompositions
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.9b00985
Abstract: We report a complete implementation of the coupled-cluster method with single, double, and triple excitations (CCSDT) where tensor decompositions are used to reduce its scaling and overall computational costs. For the decomposition of the electron… read more here.
Keywords: tensor; implementation coupled; single double; cluster method ... See more keywords