Íon Be H+ em campo elétrico uniforme intenso


Autoria(s): Righi,Assis Francisco Moro; Kuhnen,Carlos Alberto
Data(s)

01/06/1999

Resumo

The influence of a strong external electric field in chemical bonding is not extensively studied. In this work, the behavior of the potential energy curves of the BeH+ ion in an external electric field is investigated by means of variational calculations using molecular orbitals. For simplicity we consider the case where the external field is parallel to the molecular axis, in the direction of the dipole moment, which raises the polarization of the ion. The effects on dissociation are investigated.

Formato

text/html

Identificador

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421999000300006

Idioma(s)

pt

Publicador

Sociedade Brasileira de Química

Fonte

Química Nova v.22 n.3 1999

Palavras-Chave #total energy #slater exponents #elétric field #dipole moment
Tipo

journal article