Simulation of the total energy of a triatomic silicon cluster in the first order of perturbation theory

TL;DR

This paper presents a method to approximate the total energy of a triatomic silicon cluster using first-order perturbation theory, simplifying calculations by summing diatomic cluster energies.

Contribution

It introduces a novel approach that relates the total energy of a triatomic cluster to the sum of diatomic cluster energies in the first-order perturbation theory.

Findings

Total energy of triatomic cluster equals sum of diatomic clusters' energies in first-order approximation.

Quantum of collective electron oscillations (plasmon energy) in diatomic clusters is eV.

Method simplifies energy calculations for triatomic clusters.

Abstract

As part of a new approach to calculating the total energy of a diatomic molecule (cluster), it is shown that in the first order of perturbation theory, the total energy of a triatomic cluster is equal to the sum of the total energies of the diatomic clusters (molecules). If all three aluminum atoms are in the ground state of Al(2p), then the quantum of energy of collective electron oscillations (plasmon energy) in each of the diatomic clusters (molecules) is eV (electron volts).