Browsing Duke Faculty Articles by Subject "number"

Now showing items 1-3 of 3

A mathematical theory of stochastic microlensing. II. Random images, shear, and the Kac-Rice formula

Petters, Arlie; Teguia, A. M. (AMER INST PHYSICS, 2009)

Continuing our development of a mathematical theory of stochastic microlensing, we study the random shear and expected number of random lensed images of different types. In particular, we characterize the first three leading ...
Spin-state splittings, highest-occupied-molecular-orbital and lowest-unoccupied-molecular-orbital energies, and chemical hardness

Johnson, Erin; Yang, Weitao (AMER INST PHYSICS, 2010)

It is known that the exact density functional must give ground-state energies that are piecewise linear as a function of electron number. In this work we prove that this is also true for the lowest-energy excited states ...
Structural manifestation of the delocalization error of density functional approximations: C4N+2 rings and C-20 bowl, cage, and ring isomers

Heaton-Burgess, Tim; Yang, Weitao (AMER INST PHYSICS, 2010)

The ground state structure of C4N+2 rings is believed to exhibit a geometric transition from angle alternation (N 2). All previous density functional theory (DFT) studies on these molecules have failed to reproduce this ...