Related papers: Quantification of electron correlation effects - Q…
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…
We study dilution effects in a Mott insulating state with quantum orbital degree of freedom, termed the two-dimensional orbital compass model. This is a quantum and two-dimensional version of the orbital model where the interactions along…
We investigate electron correlation effects in internuclear-distance-dependent enhanced ionization of $\mathrm{H}_2$, $\mathrm{LiH}$, and $\mathrm{HF}$ molecules by intense near-infrared laser pulses using a 3D description of the systems…
A method is presented for calculating binding energies and other properties of extended interacting systems using the projected density of transitions (PDoT) which is the probability distribution for transitions of different energies…
Low-lying energy levels of two interacting electrons confined in a two-dimensional parabolic quantum dot in the presence of an external magnetic field have been revised within the frame of a novel model. The present formalism, which gives…
Conventionally the total correlations within a quantum system are quantified through distance-based expressions such as the relative entropy or the square-norm. Those expressions imply that a quantum state can contain both classical and…
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and…
The account of electron correlation and its efficient separation into dynamic and nondynamic parts plays a key role in the development of computational methods. In this paper we suggest a physically-sound matrix formulation to split…
The quantum superposition principle has been extensively utilized in the quantum mechanical description of the bonding phenomenon. It explains the emergence of delocalized molecular orbitals and provides a recipe for the construction of…
We examine the effects of electron-electron interactions on transport between edge states in a multilayer integer quantum Hall system. The edge states of such a system, coupled by interlayer tunneling, form a two-dimensional, chiral metal…
We have extended the momentum-dependent local-ansatz (MLA) wavefunction method to the first-principles version using the tight-binding LDA+U Hamiltonian for the description of correlated electrons in the real system. The MLA reduces to the…
When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…
We introduce an electronic structure based representation for quantum machine learning (QML) of electronic properties throughout chemical compound space. The representation is constructed using computationally inexpensive ab initio…
Theoretical descriptions of excited states of molecular systems in high-energy regimes are crucial for supporting and driving many experimental efforts at light source facilities. However, capturing their complicated correlation effects…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
Quantum correlations between two neighbor atoms are studied. It is assumed that one atomic system comprises a single auto-ionizing level and the other atom does not contain any auto-ionizing level. The excitation of both atoms is achieved…
We study a two dimensional electron system in a parabolic confining potential and constant magnetic field for the case of harmonic electron-electron interaction. We present analytic results for the electrochemical potential versus magnetic…
Correlated materials are known to display qualitatively distinct emergent behaviors at low energy. Conveniently, upon absorbing rapid quantum fluctuations, these rich low-energy behaviors can always be effectively described by dressed…
Based on the Pauli spin operators we develop the notion of the spin-correlation matrix for the two-qubit system. If this matrix is non-zero, the measure of the correlation between the qubits is the average of the non-zero elements.…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…