Open AccessEfficient Implementation of Equation-of-Motion Coupled-Cluster Singles and Doubles Method with the Density-Fitting Approximation: An Enhanced Algorithm for the Particle–Particle Ladder Term
Author(s) -
Aslı Ünal,
Uğur Bozkaya
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c01000
Subject(s) - cholesky decomposition , coupled cluster , basis set , density functional theory , chemistry , physics , computational chemistry , quantum mechanics , molecule , eigenvalues and eigenvectors