This chapter focuses on the application of Density Functional Tight Binding (DFTB) to electronic-excited states, which has attracted significant attention for extending computationally efficient approach time domain. The highlights use real-time time-dependent-DFTB probe electron dynamics large systems in external electric fields where nuclei are held fixed. Surface hopping is a general mixed q...

Abstract Wide-band gap absorber materials are prerequisites for well-performing tandem photovoltaic devices. Especially, perovskites received huge attention due to their tunable band and outstanding optoelectronic properties. Although perovskite solar cells known be highly efficient, high-open-circuit voltage losses remain a prevalent issue wide-band perovskites. Within this work, we have inves...

We analyze the investment decision of a ...rm that may complete a project either in one lump or in smaller parts at distinct points in time. The ...rm faces a trade-o¤ between the cost savings that arise when the project is completed in one go and the additional ‡exibility that arises when the ...rm is able to respond to resolving uncertainty by choosing optimal timing individually for each sta...

We derive representations for optimal martingale measures in a two-factor Markovian model, by seeking ramifications of a distortion power solution (Zariphopoulou (2001)) of the primal utility maximisation problem, for the dual problem. This provides an alternative to existing methods in the literature for characterising optimal measures, and gives new results in the form of a novel representati...

This paper studies equilibrium in the futures market for a commodity in a single good economy, which is populated by heterogeneous producers and speculators. The commodity is traded only in the spot market at harvest whereas futures contracts written on the commodity are traded continuously. The model illustrates the role of heterogeneity and non-tradeness in a futures market equilibrium. The r...

In addition to the common analysis of the Kauffman NK model where the value of K and the structure of interaction is given, the aim of this paper is to study what would be the values of these two parameters if they were endogenized. Thus, a model is proposed where firms and business schools coordinate to search for high peaks in their respective landscapes using evolutionary algorithms. The mai...

In this article the method of pricing the liabilities of a financial institution by means of dynamic mean–variance hedging is applied to the situation of an incomplete market that is nevertheless in equilibrium with homogeneous expectations. For a given stochastic asset–liability model that is consistent with the market, the article shows how to determine the price at which, subject to specifie...

This note offers a general proof of the converse of Hartwick’s rule, namely that — in an economy with stationary instantaneous preferences and a stationary technology — an efficient constant utility path is characterized by the value of net investments being zero at each point in time. In a one consumption economy with two stocks — a stock of a natural resource and a stock of man-made capital —...

In a seminal paper, Dockner and van Long [1993. International pollution control: cooperative versus non-cooperative strategies. Journal of Environmental Economics and Management 25, 13–29] argue that nonlinear strategies allow to protect the commons compared with the linear (and singular) strategy. This paper shows that the existence of multiple equilibria depends on preference characteristics ...

In a financial market with a continuous price process and proportional transaction costs we investigate the problem of utility maximization of terminal wealth. We give sufficient conditions for the existence of a shadow price process, i.e. a least favorable frictionless market leading to the same optimal strategy and utility as in the original market under transaction costs. The crucial ingredi...