Now showing items 1-10 of 263
Classes of exact wave functions for general time-dependent Dirac Hamiltonians in 1+1 dimensions
The construction of two classes of exact solutions for the most general time-dependent Dirac Hamiltonian in 1+1 dimensions was discussed. The extension of solutions by introduction of a time-dependent mass was elaborated. ...
A study of the compactness of wave functions based on Shannon entropy indices: a seniority number approach
This work reports the formulation of Shannon entropy indices in terms of seniority numbers of the Slater determinants expanding an N-electron wave function. Numerical determinations of those indices prove that they provide ...
New approach for approximating the continuum wave function by Gaussian basis set
(Elsevier Science, 2012-12)
A new approach for approximating the continuum wave functions for hydrogenic atoms with Gaussians basis sets is developed and tested. In this the plane wave is left unchanged and the distorting factor, represented by the ...
Configuration interaction wave functions: A seniority number approach
(American Institute of Physics, 2014-06)
This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of ...
THE LINEAR COMBINATION OF VIBRATIONAL WAVE FUNCTIONS (LCVW) METHOD IN A MORSE-GAUSSIAN DOUBLE WELL MOLECULAR POTENTIAL
(BALTZER SCIENCE PUBLISHERS, 2006)
Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions
(American Institute of Physics, 2013-08-23)
This work extends the concept of seniority number, which has been widely used for classifying N-electron Slater determinants, to wave functions of N electrons and spin S, as well as to N-electron spin-adapted Hilbert ...
A molecularly imprinted polymer-based evanescent wave fiber optic sensor for the detection of basic red 9 dye
A cheap and robust method for the detection and quantification of textile dyes is the use of biomimetic sensors with optical transduction, employing a molecularly imprinted polymer (MIP) as the recognition element. This ...
An information-theoretic resolution of the ambiguity in the local hardness
(Royal Society of Chemistry, 2014)
The ambiguity of the local hardness is resolved by using information theory to select definitions of the local hardness that are as close as possible to a well-defined approximate formula for the local hardness. A condensed ...
Recent advances in brain physiology and cognitive processing
The discovery of participation of astrocytes as active elements in glutamatergic tripartite synapses (composed by functional units of two neurons and one astrocyte) has led to the construction of models of cognitive ...