ADIABATIC POTENTIAL OF THE SYSTEM OF 2 EQUIVALENT VIBRONIC CENTERS WITH COMMON ATOMS .1. ONE-CENTER-COORDINATE APPROACH

Authors
Citation
Lf. Chibotaru, ADIABATIC POTENTIAL OF THE SYSTEM OF 2 EQUIVALENT VIBRONIC CENTERS WITH COMMON ATOMS .1. ONE-CENTER-COORDINATE APPROACH, Molecular physics, 81(4), 1994, pp. 873-889
Citations number
13
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
81
Issue
4
Year of publication
1994
Pages
873 - 889
Database
ISI
SICI code
0026-8976(1994)81:4<873:APOTSO>2.0.ZU;2-N
Abstract
A method for investigating the adiabatic potential of two-centre vibro nic systems employing one-centre symmetrized nuclear coordinates is pr oposed. The local nuclear coordinates of different centres are interde pendent because the centres have common atoms. The coupling equations for these coordinates are obtained for an arbitrary two-centre system having reflection symmetry sigma(h). The extrema of the adiabatic pote ntial are investigated under the additional conditions imposed by thes e coupling equations. As an example of the above approach the general expression for the sheets of adiabatic potentials of bioctahedra is ob tained and the simplest case of a top-shared bioctahedron is investiga ted.