Related Experiment Video
Updated: Jul 14, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Derivation and reinterpretation of the Fermi-Amaldi functional
Ivan P Bosko1, Viktor N Staroverov1
1Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada.
Abstract:
The Fermi-Amaldi correction to the electrostatic self-repulsion of the particle density is usually regarded as a semi-classical exchange functional that happens to be exact only for one- and closed-shell two-electron systems. We show that this functional can be derived quantum-mechanically and is exact for any number of fermions or bosons of arbitrary spin as long as the particles occupy the same spatial orbital. The Fermi-Amaldi functional is also size-consistent for such systems, provided that the factor N in its expression is understood as an orbital occupation number rather than the total number of particles. These properties of the Fermi-Amaldi functional are ultimately related to the fact that it is a special case of the self-exchange energy formula. Implications of our findings are discussed.
More Related Videos
05:57Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
Published on: April 26, 2024
07:11ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
Published on: August 19, 2021
Related Concept Videos
Fermi Level
At absolute zero temperature, electrons fill all energy states up to the Fermi level, leaving upper states empty. As the temperature rises,...
Fermi Level Dynamics
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
Castigliano's Theorem
Estimation of the Physical Quantities
Parseval's Theorem for Fourier transform
To understand Parseval's theorem, it is essential to first comprehend how signal energy is typically calculated. When considering a...
Differential Form of Maxwell's Equations