相关论文: An efficient implementation of Slater-Condon rules
In previous work, the necessary integrals arising from correlated wavefunctions were expressed in forms suitable for numerical integration. For the evaluation of $r_{12}$ and $1/r_{12}$ integrals an analytic formula is derived.…
Silicon quantum dots are considered an excellent platform for spin qubits, partly due to their weak spin-orbit interaction. However, the sharp interfaces in the heterostructures induce a small but significant spin-orbit interaction which…
We perform a study of matrix elements relevant for the Delta I=1/2 rule and the direct CP-violation parameter epsilon-prime from first principles by computer simulation in Lattice QCD. We use staggered (Kogut-Susskind) fermions, and employ…
A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic…
This is the 4-th paper in the series devoted to a systematic study of the problem of mathematically correct formulation of the rules needed to manage an effective field theory. Here we consider the problem of constructing the full set of…
We introduce Spiral, a third-order integration algorithm for the rotational motion of extended bodies. It requires only one force calculation per time step, does not require quaternion normalization at each time step, and can be formulated…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
A theoretical framework is suggested for the calculation of gamma* N -> Delta transition form factors using the light-cone sum rule approach. Leading-order sum rules are derived and compared with the existing experimental data. We find that…
We present an efficient low-rank updating algorithm for updating the trial wavefunctions used in Quantum Monte Carlo (QMC) simulations. The algorithm is based on low-rank updating of the Slater determinants. In particular, the computational…
We have gained enough statistical precision to distinguish signal from noise in matrix elements of all operators relevant for the Delta I=1/2 rule in kaon decays and for the direct CP violation parameter epsilon-prime. We confirm…
We design and analyze a logical qubit composed of a linear array of electron spins in semiconductor quantum dots. To avoid the difficulty of fully controlling a two-dimensional array of dots, we adapt spin control and error correction to a…
We present a new method for computing orbits in the perturbed two-body problem: the position and velocity vectors of the propagated object in Cartesian coordinates are replaced by eight orbital elements, i.e., constants of the unperturbed…
We review the appearance of Slater-Pauling rules in half-metallic magnets. These rules have been derived using ab-initio electronic structure calculations and directly connect the electronic properties (existence of minority-spin energy…
Two-electron charged self-assembled quantum dot molecules exhibit a decoherence-avoiding singlet-triplet qubit subspace and an efficient spin-photon interface. Here, we demonstrate that the cycling transitions originating from auxiliary…
The effective interaction/operator problem in nuclear physics is believed to be highly nonperturbative, requiring extended high-momentum spaces for accurate solution. We trace this to difficulties that arise at both short and long distances…
Quantum algorithms often assume independent spin qubits to produce trivial $|\uparrow\rangle=|0\rangle$, $|\downarrow\rangle=|1\rangle$ mappings. This can be unrealistic in many solid-state implementations with sizeable magnetic…
An emerging paradigm in modern electronics is that of CMOS + $\sf X$ requiring the integration of standard CMOS technology with novel materials and technologies denoted by $\sf X$. In this context, a crucial challenge is to develop accurate…
We present analytical formulas for the calculation of the two-center two-electron integrals in the basis of Slater geminals and products of Slater orbitals. Our derivation starts with establishing a inhomogeneous fourth-order ordinary…
This work presents the formalism for evaluating molecular SCF equations, as adapted to four$-$component Dirac spinors, which in turn reduce to Slater$-$type orbitals with non$-$integer principal quantum numbers in the non$-$relativistic…
We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…