Harriman orbitals

Let us consider now the application of local-scaling transformations to sets of single-particle functions or orbitals. As it was shown in Sect. 2.1, a set of plane waves gives rise to the transformed orbitals described by Eq. (2). In particular, the application of this transformation to one-dimensional plane-waves leads to Harriman s equidensity orbitals [27], which are given by ... 

A generalization of Harriman s orbitals has been proposed by Gosh and Parr [63] it is based on a description similar to that of Zumbach and Maschke [61] but uses polar spherical coordinates ... 

J. E. Harriman, Orthonormal orbitals for the representation of an arbitrary density. Phys. Rev. A 24,... 

The particular choice of the equidensity orthmormal orbitals defining the Slater determinant that yields a prescribed electrcm density p(r) has been proposed by Harriman [18] on the basis of the pioneering works by Macke [19] and Gilbert [20]. Alternative constructions and extensions have also been suggested [21, 22]. in die density functional theory such A-electron wavefiinctions are mvolved in the formal density constrained search of Levy [17]. 

Let us consider, for simplicity, the one-dimensional case. The Harriman [18] equidensity orbitals for isolated subsystems A and S, e.g., very distant reactants in the combined M =A -8 system, that give rise to the prescribed separated subsystem densities p (x) and p (x), normalized to = f p (x)dx and... 

Harriman and co-workers found a remarkably small attenuation factor (/ = 0.11 A ) for triplet excitation energy transfer (TEET) in a series of binuclear metal complexes (6) linked by oligophenylacetylenes (Harriman et al, 2000), i.e. the electronic coupling decreases only weakly with increasing donor-acceptor distance. Moreover, it was also foimd, by extrapolation, that the rate constant for electron exchange at donor-acceptor orbital contact (A =10 s ) was unusually small. These... 

Benniston, A.C., Gulliya, K.S., and Harriman A., Spin-orbital coupling effects on the photophysical properties and photocytotoxicity of merocyanine dyes, /. Ghem. Soc., Faraday Trans., 93, 2491, 1997. 

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