Estimation of correlation energy for excited-states of atoms

2014/09/18 by Hemanadhan, M., Harbola, Manoj K.
#Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.1409.5242

Abstract

The correlation energies of various atoms in their excited-states are estimated by modelling the Coulomb hole following the previous work by Chakravorty and Clementi. The parameter in the model is fixed by making the corresponding Coulomb hole to satisfy the exact constraint of charge neutrality.

Related

• Correlation energy of intrashell doubly excited states of heliumlike atoms
• Probabilistic method to determine electron correlation energy
• An approximate exchange-correlation hole density as a functional of the natural orbitals
• Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table
• A simple formula for ground state energy of a two-electron atom