A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg's uncertainty relation

Abstract:

A postulate is enunciated involving the construction of the quantum mechanical linear momentum vector in position space. This proposal leads to a coherent Heisenberg uncertainty relation for a Gaussian model density function. Such result is then used as starting point to obtain algorithms to perform kinetic energy calculations, when only the density function of a given system is known. The general theoretical framework is described and several density function types, including ab initio formulation, are used as application examples. © 2014 Springer International Publishing Switzerland.

Año de publicación:

2014

Keywords:

• LCAO MO density functions
• Atomic shell approximation density functions
• Momentum operator in position space
• Kinetic energy
• Heisenberg's uncertainty
• Gaussian model density functions

Fuente:

scopus