Premium
Probing actinide electronic structure through pu cluster calculations
Author(s) -
Ryzhkov Mickhail V.,
Mirmelstein Alexei,
Yu SungWoo,
Chung Brandon W.,
Tobin James G.
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24417
Subject(s) - electronic structure , plutonium , actinide , cluster (spacecraft) , x ray photoelectron spectroscopy , atomic physics , coupled cluster , chemistry , chemical physics , materials science , computational chemistry , physics , molecule , nuclear magnetic resonance , computer science , radiochemistry , inorganic chemistry , organic chemistry , programming language
Calculations of the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete‐variational method. These theoretical results and those calculated earlier for related systems have been compared to spectroscopic data produced in the experimental investigations of bulk systems, including photoelectron spectroscopy. Observation of the changes in the Pu electronic structure as a function of size provides powerful insight for aspects of bulk Pu electronic structure. © 2013 Wiley Periodicals, Inc.