Read e-book online Advances in Chemical Physics, Vol.125 (Wiley 2003) PDF

By I. Prigogine, Stuart A. Rice

ISBN-10: 0471214523

ISBN-13: 9780471214526

ISBN-10: 0471461520

ISBN-13: 9780471461524

Advances in Chemical Physics covers contemporary advances on the leading edge of analysis relative to chemical physics. The sequence, Advances in Chemical Physics, presents a discussion board for serious, authoritative reviews of advances in each quarter of the self-discipline.

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Advances in Chemical Physics, Vol.125 (Wiley 2003) - download pdf or read online

Advances in Chemical Physics covers contemporary advances on the innovative of analysis relative to chemical physics. The sequence, Advances in Chemical Physics, offers a discussion board for serious, authoritative reviews of advances in each quarter of the self-discipline.

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Extra info for Advances in Chemical Physics, Vol.125 (Wiley 2003)

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This Hamiltonian has the correct general form obtained in previous sections for the application of the FSS method to determine the critical value of the parameter l. Several investigators have performed calculations on the stability of Hþ 2 -like systems in the Born–Oppenheimer approximation. Critical charge parameters separating the regime of stable, metastable, and unstable binding were calculated using ab initio methods [134–137]. However, using the finite-size scaling approach, one can show that this critical charge is not a critical point [118].

To illustrate the appearance of resonances when a potential parameter is varied we consider the one-dimensional Hamiltonian [156],  2  p2 x 2 þ À J eÀax Hða; JÞ ¼ 2 2 ð101Þ where a and J are free parameters (instead l, we use the usual notation ða; JÞ for this Hamiltonian [157]). The potential in Eq. (101) exhibits predissociation resonances analogous to those found in diatomic molecules [160,161] and was used as a model potential to check the accuracy of different methods for the calculations of resonances [162,163].

101) exhibits predissociation resonances analogous to those found in diatomic molecules [160,161] and was used as a model potential to check the accuracy of different methods for the calculations of resonances [162,163]. We studied the critical behavior of the eigenfunctions and resonances of the Hamiltonian equation, Eq. (101), using the FSS method described in Section IV. As a basis function for the finite-size scaling procedure, we used the orthonormalized eigenfunctions of the harmonic oscillator with mass equal to 1 and frequency equal to a: a1=4 1 pffiffiffi 2 pffiffiffiffiffiffiffiffiffi eÀax =2 Hn ð axÞ ð102Þ Én ða; xÞ ¼ n p 2 n!

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Advances in Chemical Physics, Vol.125 (Wiley 2003) by I. Prigogine, Stuart A. Rice


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