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Quantum transition probabilities and quantum entanglement for two-qubit states of a four level trapped ion quantum system are computed for time-evolving ionic states driven by Jaynes-Cummings Hamiltonians with interactions mapped onto a…
In the recent years, information theory of quantum-mechanical systems have aroused the interest of many Theoretical Physicist. This due to the fact that it provides a deeper insight into the internal structure of the systems. Also, It is…
Quantum entanglement effects between the electronic spin and charge degrees of freedom are examined in an organic molecular solid, termed a dimer-Mott insulating system, in which molecular dimers are arranged in a crystal as fundamental…
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…
Many-body electron interactions are at the heart of chemistry and solid-state physics. Understanding these interactions is crucial for the development of molecular-scale quantum and nanoelectronic devices. Here, we investigate…
Iron oxide is a key compound to understand the state of the deep Earth. It has been believed that previously known oxides such as FeO and Fe2O3 will be dominant at the mantle conditions. However, recent observation of FeO2 shed another…
Understanding electron localization in molecules and materials plays a central role in electronic structure theory, and will increase in importance with the rise of data-driven approaches. The electron localization function (ELF) is widely…
We develop a time-dependent theory to investigate electron dynamics and photoionization processes of diatomic molecules interacting with strong laser fields including electron-electron correlation effects. We combine the recently formulated…
The magnetic tetrapyrrole molecules (such as porphyrins and phthalocyanines) with an active transition metal atom in their centre are currently intensively studied as prosperous potential elements of devices for high-density information…
Few-electron systems confined in a quantum dot laterally coupled to a surrounding quantum ring in the presence of an external magnetic field are studied by exact diagonalization. The distribution of electrons between the dot and the ring is…
The character of an electronically excited state is one of the most important descriptors employed to discuss the photophysics and photochemistry of transition metal complexes. In transition metal complexes, the interaction between the…
Non-classical features like interference is already being harnessed to control the output of chemical reactions. However quantum entanglement which is an equally enigmatic many-body quantum correlation can also be used as a powerful…
With the reliance in the processing of quantum information on a cold trapped ion, we analyze the entanglement entropy in the ion-field interaction with pair cat states. We investigate a long-living entanglement allowing the instantaneous…
Electron wave function entanglement and spin reconfiguration as source of electron correlation are investigated. Properties of correlation function are shown to have the best concordance with experimental data under supposition that…
We analyse the influence of entanglement on the emission properties of atoms. To this end, first, we propose a scheme for the preparation of a pair of entangled Helium atoms, one in the ortho and the other in the para spin configuration. We…
Electron and nuclear spins of diamond nitrogen-vacancy (NV) centers are good candidates for quantum information processing as they have long coherence time and can be initialized and read out optically. However, creating a large number of…
Past and ongoing research activities at the Heidelberg heavy-ion storage-ring TSR are reviewed which aim at providing accurate absolute rate coefficients and cross sections of atomic collision processes for applications in astrophysics and…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
Nascent quantum computers motivate the exploration of quantum many-body systems in nontraditional scenarios. For example, it has become natural to explore the dynamics of systems evolving under both unitary evolution and measurement. Such…
In this paper, we study the interaction between a moving $\Lambda$-type three-level atom and a single-mode cavity field in the presence of intensity-dependent atom-field coupling. After obtaining the state vector of the entire system…