We review the analytical evaluation of the pressure within the extreme pressure polarizable continuum model for the study of compressed atoms and molecules. Furthermore, we present an effective interpretation of the confinement of the electron density in some noble gas atoms in terms of a simple first-order perturbation analysis of their occupied atomic orbitals.
On the analytical evaluation of the pressure for the extreme-pressure polarizable continuum model (XP-PCM), with application to atoms / Cammi, R.; Chen, B.. - STAMPA. - (2021). [10.1016/bs.arcc.2021.08.001]
On the analytical evaluation of the pressure for the extreme-pressure polarizable continuum model (XP-PCM), with application to atoms
Cammi R.
;
2021-01-01
Abstract
We review the analytical evaluation of the pressure within the extreme pressure polarizable continuum model for the study of compressed atoms and molecules. Furthermore, we present an effective interpretation of the confinement of the electron density in some noble gas atoms in terms of a simple first-order perturbation analysis of their occupied atomic orbitals.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
