Results 111 to 120 of about 412,590 (166)

Block deformation analysis: Density matrix blocks as intramolecular deformation density

Journal of Computational Chemistry, 2020
AbstractBlock deformation analysis as deformation density of atomic orbitals is introduced to analyze intramolecular interactions. In this respect, density matrix blocks in terms of natural atomic orbitals are employed to find interacting and noninteracting multicenter subsystem and extract the corresponding deformation density.
Isa Ravaei, Seyed Mohammad Azami
openaire   +2 more sources

Inertias of Block Band Matrix Completions

SIAM Journal on Matrix Analysis and Applications, 1998
Summary: This paper classifies the ranks and inertias of Hermitian completion for the partially specified \(3 \times 3\) block band Hermitian matrix (also known as a ``bordered matrix'') \[ P=\begin{pmatrix} A&B&?\\ B^*&C&D\\ ?&D^*&E \end{pmatrix}.
Cohen, Nir, Dancis, Jerome
openaire   +1 more source

Building-block Identification by Simultaneity Matrix

Soft Computing, 2003
This paper presents a study of building blocks (BBs) in the context of genetic algorithms (GAs). In GAs literature, the BBs are common structures of high-quality solutions. The aim is to identify and maintain the BBs while performing solution recombination. To identify the BBs, we construct an $$\ell \times \ell$$ simultaneity matrix according to a set
Chatchawit Aporntewan   +1 more
openaire   +1 more source

Home - About - Disclaimer - Privacy