Considering the one-elect ron density of hydr ogen ion molecule within the context of the Ho oke – Cal ogero model

The Schrödinger eq uation for m ost N – body systems is not usua lly solvable by analytical techniques. This obs tacle can be partly circ umvented b y studying model syste ms. Hooke – Calogero model pro vides an ana lytical solution for non – adiabatic Schrödinge r equation of hydrogen molecule as well as h ydrogen ion molecule. So, if this model is similar enough to real mol ecule, it will be a suitable model for researches t o probe the traits behin d the clampe d nucleus approximati on. The aim of considering this mo del in the present work is to study t he compatib ility this model with r eal molecul e for the development of the quantum theory of atom in molecule (QTAIM). For this purpos e, one-electron density o f the molecules produce d within the context o f this model must be si milar to the one-electron density pro duced within the coulo mbic mode l.

کلیدواژه ها:

Hooke–C alogero model ، Electronic density ، Ca lmped nucl eus approxi mate ، QTAI M