By J.R. Sabin (Eds.)

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40 H. J. Monkhorst ^ The GW method of Hedin [7] amounts to approximating SðEÞ with the first terms of equations (5) and (8). To the extent it was implemented faithfully to solid-state problems, the approximation was found to be very satisfactory. Below we will argue why this should be so. ^ A formal solution for WðEÞ of equation (7) is ^ ^ vÞ ^ I^ K PðEÞ ^ K1 h v^ ^3K1 ðEÞ WðEÞ Z vð (9) ^ with the dielectric ‘matrix’ 3^ Z I^K P^ v. P^ is the central quantity in the GW method, and carries many-body effects ^ 0, the self-energy limits to beyond the HF approximation.

Klopper, S. Coriani, T. Helgaker and P. Jørgensen, J. Phys. B: At. Mol. Opt. , 2004, 37, 3753. U. Hohm, Mol. , 1994, 81, 157. W. F. Chan, G. Cooper, X. Guo, G. R. Burton and C. E. Brion, Phys. Rev. A, 1992, 46, 149. Density of States and Transmission in Molecular Transport Junctions Zsolt Bihary and Mark A. Ratner Department of Chemistry, Northwestern University, Evanston, IL 60208, USA Abstract Electron transport through molecular junctions (a molecule coordinated to two electrodes) is a nonequilibrium phenomenon, and corresponds to a current/voltage spectroscopy.

Moore, Atomic Energy Levels as Derived from the Analysis of Optical Spectra, United States Department of Commerce, National Bureau of Standards, Circular 467. H. Larsen, J. Olsen, C. Ha¨ttig, P. Jørgensen, O. Christiansen and J. Gauss, J. Chem. , 1999, 111, 1917. W. Klopper, S. Coriani, T. Helgaker and P. Jørgensen, J. Phys. B: At. Mol. Opt. , 2004, 37, 3753. U. Hohm, Mol. , 1994, 81, 157. W. F. Chan, G. Cooper, X. Guo, G. R. Burton and C. E. Brion, Phys. Rev. A, 1992, 46, 149. Density of States and Transmission in Molecular Transport Junctions Zsolt Bihary and Mark A.

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