Title of article
Flexible monomer formulation for non-rigid systems
Author/Authors
Gatti، نويسنده , , Fabien، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
7
From page
146
To page
152
Abstract
In this Letter, the general and rigorous approach for deriving adiabatically constrained kinetic energy operators of Gatti et al. is reformulated and simplified. Emphasis is placed on weakly bound systems such as van der Waals polymers, molecules bound to a surface or located inside a rare gas matrix since an adiabatic approximation might turn out to be very relevant for them. This allows us to recast the flexible adiabatic monomer formulation into that for the rigid case.
Journal title
Chemical Physics Letters
Serial Year
2003
Journal title
Chemical Physics Letters
Record number
1784284
Link To Document