Logo do repositório
 

Ion-induced dipole interaction in confining cavities

Carregando...
Imagem de Miniatura

Orientador

Coorientador

Pós-graduação

Curso de graduação

Título da Revista

ISSN da Revista

Título de Volume

Editor

Tipo

Artigo

Direito de acesso

Resumo

This work presents the solution for the ground state of the confined ion-induced dipole potential using the Variational Method with a trial eigenfunction derived from the Supersymmetric Quantum Mechanics formalism to mimc the interaction between the ferrous ion and the oxygen molecule in hemoprotein cavities, analyzing the stability of this interaction for different cavity volumes. This eigenfunction incorporates terms for the confinement radius and excluded volume of the system. Results show an anomalous effect on the ground state energy in smaller accessible volumes. We discuss the stability of the bond when compared to the termal energy of the system. To validate the VM, we also calculated energies using the Finite Element Method, finding a percentage error of less than 0.1%. The proposed model is interesting due to the low percentagem error compared to FEM and the simplicity of the eigenfunction, contributing to studies on hemoprotein interaction stability.

Descrição

Palavras-chave

Confined systems, Ion-induced dipole interaction, Supersymmetric Quantum Mechanics, Variational method

Idioma

Inglês

Citação

Physics Letters, Section A: General, Atomic and Solid State Physics, v. 541.

Itens relacionados

Unidades

Departamentos

Cursos de graduação

Programas de pós-graduação