in paper (2004) chang studied an inventory model under a situation in which the supplier provides the purchaser with a permissible delay of payments if the purchaser orders a large quantity. tripathi (2011) also studied an inventory model with time dependent demand rate under which the supplier provides the purchaser with a permissible delay in payments. this paper is motivated by chang (2004) ...

Over the last couple of years, it has been shown that Time Dependent Density Functional Theory (TD-DFT) is able to predict accurately and efficiently the polarizability of molecules, when using appropriate exchange-correlation potentials and (large) basis sets. In a previous paper, we compared the accuracy of the predicted mean polarizabilities of 15 organic molecules with experiment, and with ...

An implementation of the generalized time-dependent generator coordinated method (TD-GCM) is developed, that can be applied to dynamics small- and large-amplitude collective motion atomic nuclei. Both states weight functions GCM correlated wave function depend on time. The initial are obtained as solutions deformation-constrained self-consistent mean-field equations, evolved in time by standard...

Range-separated multiconfigurational density functional theory (RS MC-DFT) rigorously combines (DFT) and wavefunction (WFT) theories. This is achieved by partitioning of the electron interaction operator into long- short-range components modeling them with WFT DFT, respectively. In contrast to other methods, mixing wavefunctions functionals, RS MC-DFT free from correlation double counting. The ...

Here we give an overview of the extensions of our previous work. We discuss the analytical gradient for structure optimisations [3], the combination with an empirical dispersion correction (DFT-D) [4], and the computation of excitation energies in a time-dependent framework [5]. We present results for several benchmark sets and for some challenging applications. In all cases very accurate resul...

The temperature-dependent terahertz spectra of the partially-disordered and ordered phases of camphor (C10H16O) are measured using terahertz time-domain spectroscopy. In its partially-disordered phases, a low-intensity, extremely broad resonance is found and is characterized using both a phenomenological approach and an approach based on ab initio solid-state DFT simulations. These two descript...

Density Functional (DFT) and Time-Dependent Theory (TD-DFT) quantum chemical calculations were performed in order to gain deeper insight into the electronic structures of alkenylruthenium-triarylamine conjugates in their various accessible oxidation states. These compounds were experimentally scrutinized in their neutral, monoand dicationic states by infrared, UV/Vis/near-infrared and electron ...

Vibrational wavenumber assignments and geometrical parameters of single layer graphene (SLG) were investigated using density functional theory (DFT) with the basis set of 6-31G (d,p). The scaled vibrational assignments are found to be in good agreement with experimental values. The excitation energy, oscillator strength and wavelength were calculated using time dependent density functional theo...

In Peierls-distorted materials, photoexcitation leads to a strongly coupled transient response between structural and electronic degrees of freedom, always measured independently each other. Here we use reflectivity in the extreme ultraviolet quantify both responses photoexcited bismuth single measurement. With help first-principles calculations based on density-functional theory (DFT) time-dep...