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Electron shell

Known as: Electron shells, Shell Atomic Model, D-shell 
In chemistry and atomic physics, an electron shell, or a principal energy level, may be thought of as an orbit followed by electrons around an atom's… 
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Papers overview

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Highly Cited
2018
Highly Cited
2018
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical… 
Highly Cited
2012
Highly Cited
2009
Highly Cited
2009
We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d… 
Highly Cited
2006
Highly Cited
2006
Highly Cited
2001
Highly Cited
2001
Relativistic energy corrections which arise from the use of the Dirac-Coulomb Hamiltonian, and the Gaunt and Breit interaction… 
Highly Cited
1997
Highly Cited
1997
A systematic investigation has been carried out of the accuracy of molecular equilibrium structures of 19 small closed-shell… 
Highly Cited
1994
Highly Cited
1994
Several possible definitions for a multireference second‐order perturbation theory are suggested. These are tested against some… 
Highly Cited
1993
Highly Cited
1993
A semidirect implementation of the closed‐shell MP2 gradient for efficient use on workstation computers is presented. The… 
Highly Cited
1968
Highly Cited
1968
A discussion of general-purpose computer programs in theoretical chemistry is given, followed by a description of the procedures…