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The definition for the Slater-type orbitals is generalized. Transformation between an orthonormal basis function and the Slater-type orbital with non-integer principal quantum numbers is investigated. Analytical expressions for the linear…

Chemical Physics · Physics 2022-10-11 A. Bağcı , P. E. Hoggan

The aim of this note is to compare the averaged optimal coplanar transfer towards circular orbits when the costs are the transfer time transfer and the energy consumption. While the energy case leads to analyze a 2D Riemannian metric using…

Optimization and Control · Mathematics 2015-08-25 Bernard Bonnard , Helen Henninger , Jana Nemcova , Jean-Baptiste Pomet

Spherical harmonics provide a smooth, orthogonal, and symmetry-adapted basis to expand functions on a sphere, and they are used routinely in physical and theoretical chemistry as well as in different fields of science and technology, from…

Chemical Physics · Physics 2023-05-02 Filippo Bigi , Guillaume Fraux , Nicholas J. Browning , Michele Ceriotti

The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…

Materials Science · Physics 2009-11-07 Javier Junquera , Oscar Paz , Daniel Sanchez-Portal , Emilio Artacho

I describe how real quantum annealers may be used to perform local (in state space) searches around specified states, rather than the global searches traditionally implemented in the quantum annealing algorithm. The quantum annealing…

Emerging Technologies · Computer Science 2016-06-23 Nicholas Chancellor

Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…

Quantum Physics · Physics 2007-05-23 Rolando D. Somma

We present a quantum algorithm which simulates the quantum kicked rotator model exponentially faster than classical algorithms. This shows that important physical problems of quantum chaos, localization and Anderson transition can be…

Quantum Physics · Physics 2009-11-06 B. Georgeot , D. L. Shepelyansky

One of the main applications of future quantum computers will be the simulation of quantum models. While the evolution of a quantum state under a Hamiltonian is straightforward (if sometimes expensive), using quantum computers to determine…

We consider the so-called Keplerian periodogram, in which the putative detectable signal is modelled by a highly non-linear Keplerian radial velocity function, appearing in Doppler exoplanetary surveys. We demonstrate that for planets on…

Instrumentation and Methods for Astrophysics · Physics 2014-10-29 Roman V. Baluev

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

This paper considers the quantum query complexity of {\it $\eps$-biased oracles} that return the correct value with probability only $1/2 + \eps$. In particular, we show a quantum algorithm to compute $N$-bit OR functions with…

Quantum Physics · Physics 2007-05-23 Tomoya Suzuki , Shigeru Yamashita , Masaki Nakanishi , Katsumasa Watanabe

The determination of velocities of stars from precise Doppler measurements is described here using relativistic theory of astronomical reference frames so as to determine the Keplerian and post-Keplerian parameters of binary systems. We…

Astrophysics · Physics 2009-10-31 S. M. Kopeikin , L. M. Ozernoy

Reconstructing the trajectories of charged particles from the collection of hits they leave in the detectors of collider experiments like those at the Large Hadron Collider (LHC) is a challenging combinatorics problem and computationally…

High Energy Physics - Experiment · Physics 2024-03-15 Philippa Duckett , Gabriel Facini , Marcin Jastrzebski , Sarah Malik , Sebastien Rettie , Tim Scanlon

The intersection of Quantum Chemistry and Quantum Computing has led to significant advancements in understanding the potential of using quantum devices for the efficient calculation of molecular energies. Simultaneously, this intersection…

Quantum Physics · Physics 2025-09-03 Davide Materia , Leonardo Ratini , Celestino Angeli , Leonardo Guidoni

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

In designing quantum control, it is generally required to simulate the controlled system evolution with a classical computer. However, computing the time evolution operator can be quite resource-consuming since the total Hamiltonian is…

Quantum Physics · Physics 2022-10-25 Xiaodong Yang , Xinfang Nie , Yunlan Ji , Tao Xin , Dawei Lu , Jun Li

The possibility of measuring the post-Newtonian gravitoelectric correction to the orbital period of a test particle freely orbiting a spherically symmetric mass in the Solar System is analyzed. It should be possible, in principle, to detect…

General Relativity and Quantum Cosmology · Physics 2012-07-31 Lorenzo Iorio

Starting with just the assumption of uniformly distributed orbital orientations, we derive expressions for the distributions of the Keplerian orbital elements as functions of arbitrary distributions of eccentricity and semi-major axis. We…

Instrumentation and Methods for Astrophysics · Physics 2011-01-24 Dmitry Savransky , Eric Cady , N. Jeremy Kasdin

We present a hybrid classical/quantum algorithm for efficiently solving the eigenvalue problem of many-particle Hamiltonians on quantum computers with limited resources by splitting the workload between classical and quantum processors.…

Quantum Physics · Physics 2022-03-01 John P. T. Stenger , Daniel Gunlycke , C. Stephen Hellberg

The rapid progress of computer science has been accompanied by a corresponding evolution of computation, from classical computation to quantum computation. As quantum computing is on its way to becoming an established discipline of…

Other Computer Science · Computer Science 2010-03-10 D. K. Ningtyas , A. B. Mutiara
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