相关论文: Coulomb and spin-orbit interaction matrix elements…

We have developed a McMurchie-Davidson-like recursion formula for efficient evaluation of the Coulomb attraction and interaction matrix elements between two-dimensional primitive Cartesian Gaussian type orbitals. We also present recurrence…

We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…

Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interactions. In their earliest implementations, methods like…

Hubbard-like Hamiltonians are widely used to describe on-site Coulomb interactions in magnetic and strongly-correlated solids, but there is much confusion in the literature about the form these Hamiltonians should take for shells of p and d…

Charge ordering is often found in the phase diagram of unconventional superconductors in close proximity to the superconducting state. This has led to the suggestion that fluctuations of charge order can mediate superconducting pairing.…

The near-exact iCIPT2 approach for strongly correlated systems of electrons, which stems from the combination of iterative configuration interaction (iCI, an exact solver of full CI) with configuration selection for static correlation and…

For 4$d^1$ and 5$d^1$ spin-orbit-coupled electron configurations, the notion of nonmagnetic j=3/2 quartet ground state discussed in classical textbooks is at odds with the observed variety of magnetic properties. Here we throw fresh light…

We discuss the problem of spin-orbit interaction in a 2D chaotic or diffusive quantum dot in the presence of exchange correlations. Spin-orbit scattering breaks spin rotation invariance, and in the crossover regime between different…

Second order integrals of motion for 3d quantum mechanical systems with position dependent masses (PDM) are classified. Namely, all PDM systems are specified which, in addition to their rotation invariance, admit at least one second order…

Spin-orbit qubit (SOQ) is the dressed spin by the orbital degree of freedom through a strong spin-orbit coupling. We show that Coulomb interaction between two electrons in quantum dots located separately in two nanowires can efficiently…

Motivated by recent experiments, in which the Kondo effect has been observed for the first time in a double quantum-dot structure, we study electron transport through a system consisting of two ultrasmall, capacitively-coupled dots with…

The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…

We present explicit formulas for all spin matrix elements in the 2D Ising model with the nearest neighbor interaction on the finite periodic square lattice. These expressions generalize the known results [Phys. Rev. D19, (1979), 2477--2479;…

We describe a practical procedure to calculate the Coulomb matrix elements of 2D spatially separated and confined charge carriers, which are needed for detailed theoretical descriptions of important condensed matter finite systems. We…

There are two well-known ways of describing elements of the rotation group SO$(m)$. First, according to the Cartan-Dieudonn\'e theorem, every rotation matrix can be written as an even number of reflections. And second, they can also be…

We report on our analysis of the Coulomb singularity problem in the frame of the coupled channel scattering theory including spin-orbit interaction. We assume that the coupling between the partial wave components involves orbital angular…

Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…

Under the spin-position decoupling approximation, a vector with a phase in 3D orientation space endowed with geometric algebra, substitutes the vector-matrix spin model built on the Pauli spin operator. The standard quantum operator-state…

We describe stabilizer states and Clifford group operations using linear operations and quadratic forms over binary vector spaces. We show how the n-qubit Clifford group is isomorphic to a group with an operation that is defined in terms of…

A systematic analysis of $E2$ matrix elements of $^{72}$Ge, $^{76}$Ge, $^{168}$Er, $^{186}$Os, $^{188}$Os, $^{190}$Os, $^{192}$Os and $^{194}$Pt nuclides is performed using the beyond mean-field approach of triaxial projected shell model…