Scalar static polarizabilities of lanthanides and actinides
نویسندگان
چکیده
منابع مشابه
Lanthanides and Actinides
The application of quantum chemistry to systems containing atoms of the lanthanide (57La 71Lu) and/or actinide (90Th 103Lr) series is a considerable challenge and has been attempted only by a comparatively small number of researchers. Several complications, some of which will be described in the following, prevent standard quantum chemical approaches from being successful in this field in all r...
متن کاملGeneralized Slater and Static Polarizabilities
We present applications of the recently introduced “Generalized SIC-Slater” scheme which provides a simple Self-Interaction Correction approximation in the framework of the Optimized Effective Potential. We focus on the computation of static polarizabilities which are known to constitute stringent tests for Density Functional Theory. We apply the new method to model H4 chains, but also to more ...
متن کاملStatic Electric Dipole Polarizabilities of Na Clusters
The static electric dipole polarizability of NaN clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for 2 ≤ N ≤ 20, including the ionic structure of the clusters. The validity of a collective model for the static response of small systems is demonstrated. Our density functional calculations verify the trends and fine structu...
متن کاملSorption speciation of lanthanides/actinides on minerals by TRLFS, EXAFS and DFT studies: a review.
Lanthanides/actinides sorption speciation on minerals and oxides by means of time resolved laser fluorescence spectroscopy (TRLFS), extended X-ray absorption fine structure spectroscopy (EXAFS) and density functional theory (DFT) is reviewed in the field of nuclear disposal safety research. The theoretical aspects of the methods are concisely presented. Examples of recent research results of la...
متن کاملHighly efficient separation of actinides from lanthanides by a phenanthroline-derived bis-triazine ligand.
The synthesis, lanthanide complexation, and solvent extraction of actinide(III) and lanthanide(III) radiotracers from nitric acid solutions by a phenanthroline-derived quadridentate bis-triazine ligand are described. The ligand separates Am(III) and Cm(III) from the lanthanides with remarkably high efficiency, high selectivity, and fast extraction kinetics compared to its 2,2'-bipyridine counte...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review A
سال: 2014
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.89.042507