The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion
Nenhuma Miniatura disponível
Data
2016-04-05
Autores
Silva, Josimar Fernando da [UNESP]
Silva, Fabricio Ramos [UNESP]
Drigo Filho, Elso [UNESP]
Título da Revista
ISSN da Revista
Título de Volume
Editor
Wiley-Blackwell
Resumo
The electronic energy and the polarizability of a confined hydrogen molecular ion in the ground state and the first excited state, for cavities of different volumes, are calculated using the variational method. In the treatment adopted an alternative molecular wave function is introduced with only one variational parameter and based on wave functions used for confined atoms. (c) 2016 Wiley Periodicals, Inc.
Descrição
Palavras-chave
variational method, confined molecule, hydrogen molecular ion, electronic energy, polarizability
Como citar
International Journal Of Quantum Chemistry. Hoboken: Wiley-blackwell, v. 116, n. 7, p. 497-503, 2016.