Related papers: Quantification of electron correlation effects - Q…
The present article proposes a measure of correlation for multiqubit mixed states. The measure is defined recursively, accumulating the correlation of the subspaces, making it simple to calculate without using of regression. Unlike usual…
Correlation among particles in finite quantum systems leads to complex behaviour and novel states of matter. One remarkable example is predicted to occur in a semiconductor quantum dot (QD) where at vanishing density the Coulomb correlation…
This study investigates the interplay between relativistic effects and electron correlation effects on the first ionization energies of heavy atoms (Au through Rn, Z = 79-86). We perform two complementary analyses: (1) comparing…
We analyze a quantum measurement where the apparatus is initially in a mixed state. We show that the amount of information gained in a measurement is not equal to the amount of entanglement between the system and the apparatus, but is…
Quantum information theory is built upon the realisation that quantum resources like coherence and entanglement can be exploited for novel or enhanced ways of transmitting and manipulating information, such as quantum cryptography,…
An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…
This study confirms a local trade-off between information and disturbance in quantum measurements. It is represented by the correlation between the changes in these two quantities when the measurement is slightly modified. The correlation…
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational cost. %which is based on orbital optimization of electron…
The Interacting Quantum Atoms (IQA) electronic energy partition is an important method in the field of quantum chemical topology which has given important insights of different systems and processes in physical chemistry. There have been…
In quantum information and communication one looks for the non-classical features like interference and quantum correlations to harness the true power of composite systems. We show how the concept akin to interference is, in fact,…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
Mutual information and information entropies in momentum space are proposed as measures of the non-local aspects of information. Singlet and triplet state members of the helium isoelectronic series are employed to examine Coulomb and Fermi…
Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic…
Entanglement engineering plays a central role in quantum-enhanced technologies, with potential physical platforms that outperform their classical counterparts. However, free electrons remain largely unexplored despite their great capacity…
The integrated information theory is thought to be a key clue towards the theoretical understanding of consciousness. In this study, we propose a simple numerical model comprising a set of coupled double quantum dots, where the…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…
If simple guidelines could be established for understanding how quantum interference (QI) can be exploited to control the flow of electricity through single molecules, then new functional molecules, which exploit room-temperature QI could…
Recent advances in many-body physics have made it possible to study correlated electron systems at the two-particle level. In Dynamical Mean-Field theory, it has been shown that the metal-insulator phase diagram is closely related to the…
Atomistic electronic structure calculations are performed to study the coherent inter-dot couplings of the electronic states in a single InGaAs quantum dot molecule. The experimentally observed excitonic spectrum [12] is quantitatively…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…