Year: 2019
Type: paratext
Abstract: FFLUX, QTAIM, electron correlationAs depicted in the cover image, the QTAIM man has a hard choice to make.Paul Popelier and colleagues, in their article on page 2793, use the 3D ESP approach that enhances the algorithm speed by a factor of six and offers increased accuracy.The information, however, is lost on how a given atom A interacts with another atom B. A tough choice indeed!The two-particle density matrix, much like Macbeth, potentially faces decapitation.
DOI: 10.1002/jcc.25516
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,300
OpenAlex ID: W4251544976