111 citations · 342 across the 11 of their papers we have counts for
11 papers
Why doubly excited determinants govern configuration interaction calculations of electron correlations
Carlos L. Benavides-Riveros, José M. Gracia-Bondía, Michael Springborg
Computational evidence shows that, when using natural orbitals to study (dynamical and non-dynamical) electron correlation, determinants with an odd number of excitations play a ne…
Quasipinning and selection rules for excitations in atoms and molecules
Carlos L. Benavides-Riveros, Michael Springborg
Postulated by Pauli to explain the electronic structure of atoms and molecules, the exclusion principle establishes an upper bound of 1 for the fermionic natural occupation numbers…
Quasi-pinning and entanglement in the lithium isoelectronic series
Carlos L. Benavides-Riveros, José M. Gracia-Bondía, Michael Springborg
The Pauli exclusion principle gives an upper bound of 1 on the natural occupation numbers. Recently there has been an intriguing amount of theoretical evidence that there is a plet…
How much can donor/acceptor-substitution change the responses of long push-pull systems to DC fields?
Michael Springborg, Bernard Kirtman
Mathematical arguments are presented that give a unique answer to the question in the title. Subsequently, the mathematical analysis is extended using results of detailed model cal…
Structural and electronic properties of Si/Ge nanoparticles
Abu Md. Asaduzzaman, Michael Springborg
Results of a theoretical study of the electronic properties of (Si)Ge and (Ge)Si core/shell nanoparticles, homogeneous SiGe clusters, and GeSi clusters with an interphase separa…
Non-universality of commonly used correlation-energy density functionals
Jacob Katriel, Sudip Roy, Michael Springborg
The correlation energies of the helium isoelectronic sequence and of Hooke's atom isoelectronic sequence have been evaluated using an assortment of local, gradient and meta-gradien…