In the quest for a cost-effective level of theory able to describe a large portion of the ground and excited potential energy surfaces of large chromophores, promising approaches are rooted in various approximations to the exact density functional theory (DFT). In the present work, we investigate how generalized Kohn-Sham DFT (GKS-DFT), time-dependent DFT (TDDFT), and spin-restricted ensemble-D...

Defibrillation threshold (DFT) testing has traditionally been an integral part of implantable cardioverter defibrillator (ICD) implantation. With the increasing number of patients receiving ICDs, physicians are encountering high DFT more often than before. Tackling the problem of high DFT, warrants an in-depth understanding of the science of defibrillation including the key electrophysiological...

Realization of N-point Discrete Fourier Transform (DFT) using one-dimensional or two-dimensional systolic array structures have been developed for power of two DFT sizes. DFT algorithm, which can be represented as a triple -matrix product, can be realized by decomposing N into smaller lengths. Triple matrix product form of representation enables to map the Npoint DFT on a 2-D systolic array. In...

Presented in this work are the results of a quantum chemical study of oxygen adsorption on small Aun and Au−n (n=2,3) clusters. Density functional theory(DFT), second order perturbation theory (MP2), and singles and doubles coupled clustertheory with perturbative triples [CCSD(T)] methods have been used to determine the geometry and the binding energy of oxygen to Aun. The multireference charac...

1. Page 2741, caption of Fig. 2: three occurrences of ‘‘commutator’’ instead of ‘‘commutor’’, i.e. the caption should read Fig. 2. Eigenvalue decomposition of the commutor for the CDFT: (a) sorted eigenvalues of the commutor T1 for N 1⁄4 128. (b) Selected symmetric and skew-symmetric eigenvectors of the commutor for k 1⁄4 0,1, 2, 3. 2. Page 2743, fourth sentence after Eq. (14): ‘‘commutator’’ i...