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The possibility of using quantum computers for electronic structure calculations has opened up a promising avenue for computational chemistry. Towards this direction, numerous algorithmic advances have been made in the last five years. The…

Quantum annealers are an alternative approach to quantum computing which make use of the adiabatic theorem to efficiently find the ground state of a physically realizable Hamiltonian. Such devices are currently commercially available and…

量子物理 · 物理学 2021-02-24 Justin Copenhaver , Adam Wasserman , Birgit Wehefritz-Kaufmann

With rapid progress being made in the development of platforms for quantum computation, there has been considerable interest in whether present-day and near-term devices can be used to solve problems of relevance. A commonly cited…

The quantum-classical hybrid Variational Quantum Eigensolver (VQE) algorithm is recognized to be the most suitable approach to obtain ground state energies of quantum many-body systems in the noisy intermediate scale quantum era. In this…

原子物理 · 物理学 2023-04-12 K. R. Swain , V. S. Prasannaa , Kenji Sugisaki , B. P. Das

In proposals for quantum computers using arrays of trapped ultracold polar molecules as qubits, a strong external field with appreciable gradient is imposed in order to prevent quenching of the dipole moments by rotation and to distinguish…

量子物理 · 物理学 2015-05-27 Qi Wei , Sabre Kais , Bretislav Friedrich , Dudley Herschbach

The interaction of an electron with a polar molecule is shown to be the simplest realization of a quantum anomaly in a physical system. The existence of a critical dipole moment for electron capture and formation of anions, which has been…

高能物理 - 理论 · 物理学 2007-05-23 Horacio E Camblong , Luis N. Epele , Huner Fanchiotti , Carlos A. Garcia Canal

Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…

量子物理 · 物理学 2019-08-15 Alexander Teplukhin , Brian K. Kendrick , Dmitri Babikov

In this work we demonstrate a practical prospect of using quantum annealers for simulation of molecular dynamics. A methodology developed for this goal, dubbed Quantum Differential Equations (QDE), is applied to propagate classical…

Quantum annealing aims at solving hard computational problems through adiabatic state preparation. Here, I propose to use inhomogeneous longitudinal magnetic fields to enhance the efficiency of the annealing. Such fields are able to bias…

量子物理 · 物理学 2019-09-23 Tobias Graß

We report the first results for the computation of relativistic effects in quantum many-body systems using quantum annealers. An average accuracy of 98.9% in the fine structure splitting of boron-like ions with respect to experiments has…

We investigate several aspects of realizing quantum computation using entangled polar molecules in pendular states. Quantum algorithms typically start from a product state |00...0> and we show that up to a negligible error, the ground…

量子物理 · 物理学 2016-07-19 Qi Wei , Yudong Cao , Sabre Kais , Bretislav Friedrich , Dudley Herschbach

We propose a novel physical realization of a quantum computer. The qubits are electric dipole moments of ultracold diatomic molecules, oriented along or against an external electric field. Individual molecules are held in a 1-D trap array,…

量子物理 · 物理学 2009-11-07 D. DeMille

A dilutely filled $N$-site optical lattice near zero temperature within a high-$Q$ multimode cavity can be mapped to a spin ensemble with tailorable interactions at all length scales. The effective full site to site interaction matrix can…

量子物理 · 物理学 2017-03-15 Valentin Torggler , Sebastian Krämer , Helmut Ritsch

A framework is introduced for expressing electromagnetic (EM) potentials and fields of single atomic or molecular emitters modeled as oscillating dipoles, which follows a recently proposed method for solving inhomogeneous wave equations for…

量子物理 · 物理学 2026-03-03 Valerica Raicu

Sampling equilibrium ensembles of dense polymer mixtures is a paradigmatically hard problem in computational physics, even in lattice-based models. Here, we develop a formalism based on interacting binary tensors that allows for tackling…

软凝聚态物质 · 物理学 2021-08-25 Cristian Micheletti , Philipp Hauke , Pietro Faccioli

Neutral molecules with sufficiently large dipole moments can bind electrons in diffuse nonvalence orbitals with most of their charge density far from the nuclei, forming so-called dipole-bound anions. Because long-range correlation effects…

化学物理 · 物理学 2018-10-30 Hongxia Hao , James Shee , Shiv Upadhyay , Can Ataca , Kenneth D. Jordan , Brenda M. Rubenstein

This study introduces a novel framework that brings together two main Quantum Programming methodologies, gate-based Quantum Computing and Quantum Annealing, by applying the Model-Driven Engineering principles. This aims to enhance the…

量子物理 · 物理学 2024-10-14 Furkan Polat , Hasan Tuncer , Armin Moin , Moharram Challenger

The rotational and fine structure of open-shell molecules in a $\Sigma$ electronic state gives rise to crossings between Zeeman states of different parity. These crossings become avoided in the presence of an electric field. We propose an…

量子物理 · 物理学 2022-08-15 K. Asnaashari , R. V. Krems

We study the quantum dynamics of neutral particle that posseses a permanent magnetic and electric dipole moments in the presence of an electromagnetic field. The analysis of this dynamics demonstrates the appearance of a quantum phase that…

量子物理 · 物理学 2009-11-10 Claudio Furtado , C. A. de Lima Ribeiro

We present a data-driven approach for the prediction of the electric dipole moment of diatomic molecules, which is one of the most relevant molecular properties. In particular, we apply Gaussian process regression to a novel dataset to show…

化学物理 · 物理学 2020-12-02 Xiangyue Liu , Gerard Meijer , Jesús Pérez-Ríos
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