Article ID Journal Published Year Pages File Type
5383694 Chemical Physics Letters 2011 5 Pages PDF
Abstract
► Referencing the missing information function to the free electron gas leads to transferability. ► The entropy of an atom is correlated to its contribution to the correlation energy. ► The physical meaning of information theoretic properties is scrutinized. ► What is the fate of the physical dimensions in Shannon's entropy? ► MP2, DFT(B3LYP), and Hartree-Fock atomic entropies are practically identical.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
, , ,