A simple analytical model for atomic motion of Tankeshwar et al. [J. Phys.: Condens. Matter <Emphasis Type="Bold">3, 3173 (1991)] is used to obtain velocity autocorrelation function (VACF) with the inter-atomic potential and the pair correlation function as required inputs for liquid Sn. For the electron-ion...</emphasis>

The dissociation of NO on Ir(100) surface is investigated using density functional theory (DFT). The pathway and transition state (TS) of the dissociation of NO molecule are determined using climbing image nudge elastic band (CI-NEB). The prerequisite state of NO dissociation is determining the...

This paper shows how to solve dynamic agency models by extending recursive Lagrangean techniques à laMarcet and Marimon (2011) to problems with hidden actions. The method has many advantages with respect to the promised utilities approach (Abreu et al., 1990): it is a significant improvement in...

This is a short review on selected theory developments on tensor network (TN) states for strongly correlated systems. Specifically, we briefly review the effect of symmetries in TN states, fermionic TNs, the calculation of entanglement Hamiltonians from projected entangled pair states (PEPS),...

Time series generated by a complex hierarchical system exhibit various types of dynamics at different time scales. A financial time series is an example of such a multiscale structure with time scales ranging from minutes to several years. In this paper we decompose the volatility of financial...

The effect of atomic antisite and swap defects on the electronic and magnetic properties of Ti<Subscript>2</Subscript>NiAl inverse Heusler alloy is investigated by the first-principles calculations within density functional theory. In the ordered Ti<Subscript>2</Subscript>NiAl alloy, there are eight antisites and five swaps which are...</subscript></subscript>