Related Experiment Video
Updated: Aug 7, 2026

Conventional BODIPY Conjugates for Live-Cell Super-Resolution Microscopy and Single-Molecule Tracking
Published on: June 8, 2020
Decomposition of the first-order reduced density matrix: an isopycnic localization treatment
Diego R Alcoba1, Roberto C Bochicchio, Alicia Torre
1Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, 1428, Buenos Aires, Argentina. qfxaldad@lg.ehu.es
Abstract:
In this work, we propose a partitioning of the first-order reduced density matrix corresponding to an N-electron system into first-order reduced density matrices associated with regions defined in the real space (regional matrices). The treatment is based on an isopycnic orbital localization transformation that provides regional matrices that are diagonalized by identical localized orbitals, having many attributes associated with chemical concepts (appropriate localization in space, high transferability, etc.). Although the obtained numerical values are similar to those arising from previous studies, their interpretation is more rigorous and the computational cost is much lower.
Related Concept Videos
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...
The Integrated Rate Law: The Dependence of Concentration on Time
¹H NMR of Labile Protons: Deuterium (²H) Substitution
¹³C NMR: ¹H–¹³C Decoupling
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...

