When running time-dependent density functional theory (TDDFT) calculations for real-time simulations of non-equilibrium dynamics, the user has a choice of initial Kohn-Sham state, and typically a Slater determinant is used. We explore the impact of this choice on the exchange-correlation potential when the physical system begins in a 50 : 50 superposition of the ground and first-excited state o...

This paper aims at deriving and proving some Lipschitzian type error bounds for convex conic problems in a simple way First it is shown that if the recession directions satisfy Slater s condition then a global Lipschitzian type error bound holds Alternatively if the feasible region is bounded then the ordinary Slater condition guarantees a global Lipschitzian type error bound These can be consi...

We answer a question posed by Lambert and Slater [7]. Consider a sequence of real numbers qn in the interval [0, 1] defined by q0 = 0, q1 = 1, and, for n ≥ 1, qn+1 equals an average of preceding terms in the sequence. The weights used in the average are provided by a triangular array pn,k of probabilities whose row sums are 1. What is the limiting behavior of a sequence qn so defined? For the L...

The purpose of this note is to define a tri-moment map for certain manifolds with an Sp(1)-action. We show how this map can be used ro reduce such manifolds. The images of such maps for quaternionic flag manifolds, which are defined using the Dieudonné determinant, resemble the polytopes from the complex case.

For a subset S of vertices in graph G , vertex v ? is an enclave if and all its neighbors are where neighbor adjacent to . A set enclaveless it does not contain any enclaves. The number ?( ) the maximum cardinality As first observed 1997 by Slater, with n vertices, then ?( + = well-studied domination In this paper, we continue study competition-enclaveless game introduced 2001 Philips Slater de...

Full Connguration Interaction (FCI) calculations have been performed for the nitrogen dimer using a vdzp basis set. The FCI space contains about 10 10 symmetry-adapted Slater determinants. The FCI results are compared with several approximated methods. 3 1. Introduction.

Josh Slater looks back at the past 125 years of developments in equine infectious disease, including landmark discoveries in microbiology and genomics, and considers what the future may hold.

The biochemical mechanisms underlying the toxic effects of carbon tetrachloride on rat liver have been studied extensively (for references, see Recknagel, 1967; Slater, 1972). The earliest morphological disturbances described have concerned the endoplasmic reticulum; biochemical studies in vitro with microsomal fractions have emphasized the rapidity with which carbon tetrachloride damages many ...