Subject: G98: ZPE in semiempirical calcs

From: "Sergio Emanuel Galembeck" <[email-masked]>
Date: Wed, 28 Apr 1999 09:47:48 -0300

Dear Netters,

    I am making semiempirical calculations using
G98, and I have a question:
    Is correct to sum the zero-point energy in the
electronic energy?

    Thank you very much,

            Sérgio

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Sergio Emanuel Galembeck
Assistant Professor in Physical Chemistry
Laboratorio de Modelagem Molecular
Departamento de Quimica
Faculdade de Filosofia, Ciencias e Letras de Ribeirao Preto
Universidade de Sao Paulo

fax: +55-16-633-81-51
e-mail: [email-masked]

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