相关论文: An efficient implementation of Slater-Condon rules

We apply the Smaller ALignment Index (SALI) method to a 4--dimensional mapping of accelerator dynamics in order to distinguish rapidly, reliably and accurately between ordered and chaotic motion. The main advantage of this index is that it…

A straightforward 3-point quadrature formula of closed type is derived that improves on Simpson's rule. Just using the additional information of the integrand's derivative at the two endpoints we show the error is sixth order in grid…

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…

The integrable quantum models, associated to the transfer matrices of the 6-vertex reflection algebra for spin 1/2 representations, are studied in this paper. In the framework of Sklyanin's quantum separation of variables (SOV), we provide…

Achieving control over the electron spin in quantum dots (artificial atoms) or real atoms promises access to new technologies in conventional and in quantum information processing. Here we review our proposal for quantum computing with…

The detailed operation of an electron spin entangler is studied, using density matrix equations. The device is made of a superconductor, two quantum dots and two normal leads. The treatment takes into account coherent tunneling in a…

An improved algorithm to evaluate the nonrelativistic three-electron Hylleraas-Configuration Interaction (Hy-CI) kinetic energy integrals over Slater orbitals and the Hamiltonian in Hylleraas coordinates is shown. The resulting analytical…

To efficiently implement many-qubit gates for use in quantum simulations on quantum computers we develop and present methods reexpressing exp[-i (H_1 + H_2 + ...) \Delta t] as a product of factors exp[-i H_1 \Delta t], exp[-i H_2 \Delta t],…

Reactions forming a pathway can be rewritten by making explicit the different molecular components involved in them. A molecular component represents a biological entity (e.g. a protein) in all its states (free, bound, degraded, etc.). In…

The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…

A brief review is given of the physical implementation of quantum computation within spin systems or other two-state quantum systems. The importance of the controlled-NOT or quantum XOR gate as the fundamental primitive operation of quantum…

Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…

We present a generator of virtual molecules that selects valid chemistry on the basis of the octet rule. Also, we introduce a mesomer group key that allows a fast detection of duplicates in the generated structures. Compared to existing…

The Riemann-Liouville formula for fractional derivatives and integrals (differintegration) is used to derive formulae for matrix order derivatives and integrals. That is, the parameter for integration and differentiation is allowed to…

Using electrostatic gates to control the electron positions, we present a new controlled-NOT gate based on quantum dots. The qubit states are chosen to be the spin states of an excess conductor electron in the quantum dot; and the main…

We propose the use of quantum dots formed in a semiconductor nanocolumn for the realization of charge or spin based quantum bits. The radial carrier confinement is achieved by employing conformal overgrowth, while multiple segmented gates…

Bethe-Salpeter equation is applied to $p$-$p$ elastic scattering. The observables of spin are calculated in the framework of the M matrix using the two-body interaction potential. The parameter of the pseudovector coupling constant is…

We use the spin-polarized excitons in a single quantum dot to design optical controls for basic operations in quantum computing. We examine the ultrafast nonlinear optical processes required and use the coherent nonlinear optical responses…

We present sixth- and eighth-order Hermite integrators for astrophysical $N$-body simulations, which use the derivatives of accelerations up to second order ({\it snap}) and third order ({\it crackle}). These schemes do not require previous…

We propose new local error estimators for splitting and composition methods. They are based on the construction of lower order schemes obtained at each step as a linear combination of the intermediate stages of the integrator, so that the…