A tribute to the life and work of Per-Olov Löwdin by John R Sabin; Erkki Brändas; Per Olov Löwdin

By John R Sabin; Erkki Brändas; Per Olov Löwdin

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Theoretical calculations on the ab initio level showed clear agreement with these experimental results [62,63,78]. [4] concluded by studying an example from photosynthetic reaction centres, that a protein acts by mediating ET in a fixed exponential way without much possibility for Nature to improve the ET properties in evolution, other than choosing the optimum distance between the active ET centres. It has been shown both experimentally and theoretically that n systems are better than g systems in transmitting electrons, if the orientation of the former system is favourable.

13) to the Kohn-Sham equations EcI. (3) one concludes that E(x, x'; E), since it is derived from exact many-electron theory [22], is the exact Coulomb (direct) plus exchange-correlation potential. It is non-local and also energy-dependent. In view of this it is hard to see how the various forms of constructed local exchange correlation potentials that are in use today can ever capture the full details of the correlation problem. One way to proceed would be to device a procedure for obtaining systematic local approximations to E(x, xq E).

Levy and J. P. Perdew, The constrained search formulation of density functional theory, in Density functional methods in physics, edited by R. M. Dreizler and J. da Providencia, pages 11-30, Plenum, 1985. [14]K. Husimi, Proc. Phys. Math. Soc. Japan 22, 264 (1940). -O. L6wdin, Phys. Rev. 97, 1474 (1955). [16]A. J. Coleman, Rev. Mod. Phys. 36, 668 (1963). [17]H. Nakatsuji, Theor. Chem. Acc. 102, 97 (1999). [18]D. A. Mazziotti, Chm. Phys. Lett. 326, 212 (2000). [19]D. Mukherjee and W. Kutzelnigg, J.

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