Two-adsorbate problem: a superoperator analysis

Mishra, A. K. ; Rangarajan, S. K. (1987) Two-adsorbate problem: a superoperator analysis Journal of Physical Chemistry A, 91 (12). pp. 3406-3416. ISSN 0022-3654

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The theoretical analysis of chemisorption involving two adsorbates is taken up to obtain expressions for "indirect interactions", distortions in charge-transfer processes (as compared with the lone adsorbate problem), etc. This is achieved by constructing an appropriate model Hamiltonian and deriving analytical expressions for single-particle fermion Green's functions (GFs) as well as higher order Fermion and boson GFs required for evaluating the energies involved beyond the Hartree-Fock and mean-field limits.

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Source:Copyright of this article belongs to American Chemical Society.
ID Code:81233
Deposited On:04 Feb 2012 12:36
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