Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 2 of 2 for “"DLPNO-CCSD(T) method"”.
-
In Pursuit of Local Correlation for Reduced-Scaling Electronic Structure Methods in Molecules and Periodic Solids
… way in which the computational cost of a given method scales with the system size; for notational purposes, we will often introduce a parameter, N, that is proportional to the system size. In the case of Hartree-Fock, a one-body wavefunction-based method, the scaling is formally N⁴, and …
-
QUANTUM OBSERVABLES OF OPEN-SHELL SYSTEMS. A THEORETICAL STUDY
… of the domain-based local pair natural orbital (DLPNO) variant of the “gold standard” CCSD(T) method for the prediction of phosphorescence energies of aromatic chromophores is investigated for the first time [2]. An extensive analysis of both accuracy and computational cost of the main parameters …