相关论文: Direct evaluation of overlap integrals between Sla…
We describe a new method to perform NLO calculations, combining real and virtual amplitudes at the integrand level, with a fully local compensation between them in the IR, and between the virtual integrand and properly defined counter-terms…
This paper presents Direct LiDAR-Inertial Odometry and Mapping (DLIOM), a robust SLAM algorithm with an explicit focus on computational efficiency, operational reliability, and real-world efficacy. DLIOM contains several key algorithmic…
Single-center two-electron integration is an important core technology in ab initio calculation of atomic and molecular structures. Therefore, this paper reviews and optimizes the method of Zhao et al., and draws a conclusion: Because this…
We present a method for the calculation of electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the…
We propose and implement a lattice scheme for coherently manipulating atomic spins. Using the vector light shift and a superlattice structure, we demonstrate experimentally the capability on parallel spin addressing in double-wells and…
We introduce a fast, high-precision algorithm for calculating intersections between great circle arcs and lines of constant latitude on the unit sphere. We first propose a simplified intersection point formula with improved speed and…
Electronic transitions involving core-level orbitals offer a localized, atomic-site and element specific peek window into statistical systems such as molecular liquids. Although formally understood, the complex relation between structure…
This paper summarizes a quantum algorithm of [R.D. Somma, et.al., Phys. Rev. Lett. 101, 130504 (2008)] that simulates a classical annealing process for solving discrete optimization problems. The complexity of the quantum algorithm scales…
The overlap measurement scheme accomplishes to evaluate the overlap of two input quantum states by only measuring an introduced auxiliary qubit, irrespective of the complexity of the two input states. We find a counterintuitive phenomenon…
Molecular orbital theory is powerful both as a conceptual tool for understanding chemical bonding, and as a theoretical framework for ab initio quantum chemistry. Despite its undoubted success, MO theory has well documented shortcomings,…
Using the complete orthonormal basis sets of nonrelativistic and quasirelativistic orbitals introduced by the author in previous papers for particles with arbitrary spin the new analytical relations for the -component relativistic tensor…
We demonstrate control of the electron number down to the last electron in tunable few-electron quantum dots defined in catalytically grown InAs nanowires. Using low temperature transport spectroscopy in the Coulomb blockade regime we…
In this work, we investigate a theory of stochastic integration for operator-valued processes with respect to semimartingales taking values in the dual of a nuclear space. Our construction of this particular stochastic integral relies on…
Estimating the overlap between two states is an important task with several applications in quantum information. However, the typical swap test circuit can only measure a sole pair of quantum states at a time. In this study we designed a…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital (e.g. from the DMRG active space) participates…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
We propose a novel method to compute multi-loop master integrals by constructing and numerically solving a system of ordinary differential equations, with almost trivial boundary conditions. Thus it can be systematically applied to problems…
We propose to use wavefunction overlaps obtained from a quantum computer as inputs for the classical split-amplitude techniques, tailored and externally corrected coupled cluster, to achieve balanced treatment of static and dynamic…