Spectroscopy of confined atomic systems: effect of plasma

AN Sil, S Canuto, PK Mukherjee - Advances in Quantum Chemistry, 2009 - Elsevier
The effect of spatial and other external confinements on the ground and excited state energy
levels of many electron atoms, ions and exotic systems is discussed. Special emphasis is …

Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime

F Zeller, CM Hsieh, W Dononelli… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
The field of liquid‐phase and solid‐state high‐pressure chemistry has exploded since the
advent of the diamond anvil cell, an experimental technique that allows the application of …

The hydrogen atom within spherical boxes with penetrable walls

E Ley‐Koo, S Rubinstein - The Journal of Chemical Physics, 1979 - pubs.aip.org
The hydrogen atom within a spherical box with impenetrable walls has recently been
investigated in connection with the hyperfine splitting1 and SCF calculations. 2 Both of these …

Characteristic features of Shannon information entropy of confined atoms

KD Sen - The Journal of chemical physics, 2005 - pubs.aip.org
The Shannon information entropy of 1-normalized electron density in position and
momentum space S r and S p⁠, and the sum ST⁠, respectively, are reported for the ground …

Energy levels and structural properties of compressed hydrogen atom under Debye screening

B Saha, PK Mukherjee, GHF Diercksen - Astronomy & Astrophysics, 2002 - aanda.org
Time dependent variation perturbation calculations have been performed for estimating the
transition energies, oscillator strengths and transition probability values for a few dipole …

Highly accurate solutions for the confined hydrogen atom

N Aquino, G Campoy… - International Journal of …, 2007 - Wiley Online Library
The model of the confined hydrogen atom (CHA) was developed by Michels et al.[1] in the
mid-1930s to study matter subject to extreme pressure. However, since the eigenvalues …

Properties of atoms in molecules: atoms under pressure

RFW Bader, MA Austen - The Journal of chemical physics, 1997 - pubs.aip.org
The in situ pressure acting on the surface of an open system at the atomic level is defined
and determined by the virial theorem for a proper open system, one whose spatial boundary …

Electron‐density delocalization in many‐electron atoms confined by penetrable walls: AH artree–F ock study

M Rodriguez‐Bautista, R Vargas… - … Journal of Quantum …, 2018 - Wiley Online Library
The electronic structure of several many‐electron atoms, confined within a penetrable
spherical box, was studied using the Hartree–Fock (HF) method, coupling the Roothaan's …

The energy levels and the corresponding normalized wave functions for a model of a compressed atom

PO Fröman, S Yngve, N Fröman - Journal of mathematical physics, 1987 - pubs.aip.org
In the model of a compressed atom (or ion) considered in the present paper the boundary
condition associated with the corresponding uncompressed atom, ie, the condition that the …

[HTML][HTML] Shannon entropy: A study of confined hydrogenic-like atoms

WS Nascimento, FV Prudente - Chemical Physics Letters, 2018 - Elsevier
The Shannon entropy in the atomic, molecular and chemical physics context is presented by
using as test cases the hydrogenic-like atoms H c, He c+ and Li c 2+ confined by an …