arXiv subjects

Nicolais L. Guevara

Publications and source records attributed to Nicolais L. Guevara.

3 recordsLinked to original sources

arXiv2009

An accurate few-parameter ground state wave function for the Lithium atom

A simple, seven-parameter trial function is proposed for a description of the ground state of the Lithium atom. It includes both spin functions. Inter-electronic distances appear in exponential form as well as in a pre-exponential factor, and the necessary energy matrix elements are evaluated by numerical integration in the space of the relative coordinates. Encouragingly accurate values of the energy and the cusp parameters as well as for some expectation values are obtained.

physics.atom-ph↗

arXiv2006

Shannon entropies of atomic structure factors, off-diagonal order and electron correlation

Shannon entropies of one- and two-electron atomic structure factors in the position and momentum representations are used to examine the behavior of the off-diagonal elements of density matrices with respect to the uncertainty principle and to analyze the effects of electron correlation on off-diagonal order. We show that electron correlation induces off-diagonal order in position space which is characterized by larger entropic values. Electron correlation in momentum space is characterized by smaller entropic values as information is forced into regions closer to the diagonal. Related off-diagonal correlation functions are also discussed.

quant-ph↗

arXiv2006

Mutual information and electron correlation in momentum space

Mutual information and information entropies in momentum space are proposed as measures of the non-local aspects of information. Singlet and triplet state members of the helium isoelectronic series are employed to examine Coulomb and Fermi correlation, and their manifestations, in both the position and momentum space mutual information measures. The triplet state measures exemplify that the magnitude of the spatial correlations relative to the momentum correlations, depends on, and may be controlled by the strength of the electronic correlation. Examination of one and two-electron Shannon entropies in the triplet state series yields a crossover point, which is characterized by a localized momentum density. The mutual information density in momentum space illustrates that this localization is accompanied by strong correlation at small values of $p$.

quant-ph↗