Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited State Properties.

In this work, we derive working equations for the linear response pair coupled cluster doubles (LR-pCCD) ansatz and its extension to singles (S), LR-pCCD+S. These methods allow us to compute electronic excitation energies and transition dipole moments based on a pCCD reference function. We benchmark the LR-pCCD+S model against the linear response coupled-cluster singles and doubles method for modeling electronic spectra (excitation energies and transition dipole moments) of the BH, HO, HCO, and furan molecules.

A social image recommendation system based on deep reinforcement learning.

Today, due to the expansion of the Internet and social networks, people are faced with a vast amount of dynamic information. To mitigate the issue of information overload, recommender systems have become pivotal by analyzing users' activity histories to discern their interests and preferences. However, most available social image recommender systems utilize a static strategy, meaning they do not adapt to changes in user preferences.

Electronic Properties of Oxidized Graphene: Effects of Strain and an Electric Field on Flat Bands and the Energy Gap.

A multiscale modeling and simulation approach, including first-principles calculations, ab initio molecular dynamics simulations, and a tight binding approach, is employed to study band flattening of the electronic band structure of oxidized monolayer graphene. The width of flat bands can be tuned by strain, the external electric field, and the density of functional groups and their distribution. A transition to a conducting state is found for monolayer graphene with impurities when it is subjected to an electric field of ∼1.

Superconducting proximity effect in flat band systems.

We study theoretically proximity-induced superconductivity and its inverse effect in dice lattice flat band model by considering Josephson junction with an s-wave pairing in the superconducting leads. Using self-consistent tight-binding Bogoliubov-de Gennes method, we show that there is a critical value for chemical potential of the superconductors depending on paring interaction strength over which for undoped normal region the proximity effect is enhanced. Whereas if the supserconductor chemical potential is less than the critical one the proximity effect decreases regardless of normal region doping and in the meanwhile, the pairing amplitude of superconducting region increases significantly.