著者紹介

内容

目次

Exact relations for the electron density and the energy functionals, A.Nagy; correlation in molecules, S. Suba and M.A. Whitehead; reinterpretationof electron correlations within density functional theory - Hartree, localdensity and gradient expansion approximations via the work formalism ofelectronic structure, V. Sahni; beyond the Kohn-Sham determinant, A. Savin;time-dependent density functional response theory for molecules, M.E. Casida;evaluation and application of corrected effective medium methods, A.DePristo; infrared spectra of binding energies of transition metal-monoligandcomplexes, R. Fournier and I. Papai; structure, magnetic properties andreactivities of open-shell species from density functional andself-consistent hybrid methods, V. Barone; Gaussian density functional method- an alternative tool for the prediction of physico-chemical properties, N.Russo et al; the electron density as calculated from density functionaltheory, R.J. Boyd et al.