CLOPPA-IPPP analysis of cooperative effects in h-bonded molecular complexes. 2. Application to the static molecular polarizability tensor.
The cooperative effects on the polarizability tensor are analyzed by means of the IPPP-CLOPPA approach. The decomposition of the polarizability allows classifying these effects in those due to changes in the geometric structure and those that directly involve the transmission mechanisms. This latter contribution admits a further classification, taking into account its electronic origin. As suitable examples, cooperative effects on the polarizability tensor of linear complexes (CNH)(N) and (H(2)O)(N) (N = 2, 3, 4) are discussed.
Giribet
Claudia G
CG
Department of Physics, Facultad de Ciencias Exactas y Naturales, University of Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina. giribet@df.uba.ar
Ruiz de Azúa
Martín C
MC