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高等学校化学学报

一维中心势V(q)=Bq^2+A/q^2(A,B>0)中运动的粒子在量子相空间表示中的精确解

隗功民, 吕立强, 李前树

Published Jan 1, 2006• 0 citations
OpenAlex

Abstract

在Torres-Vega和Frederick(T-F)量子相空间理论的框架下,求解了相空间中一维中心势场V(q)=Bq^2+A/q^2(A,B>0)中运动的单粒子的本征函数,并对相空间中的概率密度函数进行了讨论.

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一维中心势V(q)=Bq2+A/q2(A, B>0)中运动的粒子在量子相空间表示中的解

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The power of quantum computing may bring a revolution in finance and banking. Here, we present quantum software, BQ-Bank for option pricing, Value at Risk, portfolio optimization, and others. BQ-Bank can be run on a real quantum computer such as superconducting system or on an emulation system based on a classical computer with an interface. BQ-Bank, such as other quantum types of software, represents a new generation of the toolbox that likely brings disruptive innovations to the financial industry and banking market in the future. BQ-Bank also provides the classical Monte Carlo solution, so that users can compare their quantum results with classical ones directly. Our simulation results for a variety of examples show the superiority of quantum solutions.
We describe a quantum chemistry simulation software program BQ-Chem, which can calculate the low-energy spectrum and potential energy surface of molecules on a quantum computer. BQ-Chem is based on the full quantum eigensolver (FQE), which is implemented with a quantum gradient descent algorithm. Benefiting from FQE, BQ-Chem can perform all the calculations on a quantum computer. Compared with the classical optimization methods which encounter the optimization difficulty of high-dimensional and multivariable functions in dealing with multielectron orbitals of macromolecules, FQE provides an exponential speedup. FQE works fully on a quantum computer; thus, BQ-Chem can be smoothly transited to future large-scale quantum computers.
用变分法研究中心力场V(r)中存在束缚态的条件,分别对势场V1(r)=-V0aδ(r-a),V2(r)=-V0e^-r/e,V3(r)=-V0ae^-r/a/r,V4(r)=-V0e^-r^2/a^2,V5(r)=-e^2/r,V6(r)=-A/r^2进行了研究,得到的结果是:对V1至V4分别求μV0a^2/h^2〉0.68,0.84,1,1.95;对V5,无论e取何值,都存在束缚态;对V6,无论A取何值均不能形成束缚态。对比解定态方程得到的精确条件看出,用变分法得到的是充分条件。
Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of parallelisation has hindered its practical applications. In this work, we propose a parallelised (batch) BQ method, employing techniques from kernel quadrature, that possesses an empirically exponential convergence rate. Additionally, just as with Nested Sampling, our method permits simultaneous inference of both posteriors and model evidence. Samples from our BQ surrogate model are re-selected to give a sparse set of samples, via a kernel recombination algorithm, requiring negligible additional time to increase the batch size. Empirically, we find that our approach significantly outperforms the sampling efficiency of both state-of-the-art BQ techniques and Nested Sampling in various real-world datasets, including lithium-ion battery analytics.