A quantum calculation

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A quantum calculation

机译：量子计算

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One of the most elusive goals in modern physics has turned out to be the creation of a grand unified theory combining general relativity and quantum mechanics, the two pillars of 20th-century physics. General relativity deals with gravity and time and space; quantum mechanics with the microscopic workings of matter. Both are incredibly successful in their own domains, but they are inconsistent with one another.

机译：事实证明，现代物理学中最难以捉摸的目标之一是创建一个宏伟的统一理论，将广义相对论和量子力学结合在一起，这是20世纪物理学的两大支柱。广义相对论涉及引力，时间和空间。量子力学与物质的微观运作。两者在各自的领域都取得了令人难以置信的成功，但彼此之间却不一致。

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《The economist》 |2010年第8679期|P.85-86|共2页
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1. Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiments and Benchmark Quantum Chemical Calculations [J] . Li Guangqi, Rudshteyn Benjamin, Shee James, Journal of chemical theory and computation: JCTC . 2020,第4期

机译：精确的电离电位计算：通过从实验和基准量子化学计算获得的大数据集验证DFT-LOC方法
2. Molecular Structures of Chloro(phthalocyaninato)-aluminum(III) and -gallium(III) as Determined by Gas Electron Diffraction and Quantum Chemical Calculations : Quantum Chemical Calculations on Fluoro(phthalocyaninato)-aluminum(III) and -gallium(III), Chloro(tetrakis(1,2,5 -thiadiazole)porphyrazinato)-aluminum(III) and -gallium(III) and Comparison with their X-ray Structures [J] . Tatyana Strenalyuk, Svein Samdal, Hans Vidar Volden The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第38期

机译：气相电子衍射和量子化学计算确定的氯酞菁铝（III）和-镓（III）的分子结构：氟酞菁铝-III（III）和-镓（III）的量子化学计算（四（1,2,5-噻二唑）卟啉嗪）-铝（III）和-镓（III）及其X射线结构比较
3. Aggregation mechanism of polyglutamine diseases revealed using quantum chemical calculations, fragment molecular orbital calculations, molecular dynamics simulations, and binding free energy calculations [J] . Tsukamoto K, Shimizu H, Ishida T, Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2006,第1a3期

机译：使用量子化学计算，片段分子轨道计算，分子动力学模拟和结合自由能计算揭示了聚谷氨酰胺疾病的聚集机理
4. Influence of Molecular Structure on the Optical Property of POSS: a DFT Calculation based Quantum Chemistry calculation [C] . Di Wang, Peng Zhu, Shuangying Wei, IUMRS International Conference in Asia;IUMRS-ICA 2010 . 2011

机译：分子结构对POSS光学性质的影响：基于量子化学计算的DFT计算
5. Time independent quantum scattering calculations on small molecule system and L(2) calculations of meta-stable states. [D] . Pan, Baiyu. 1996

机译：与时间无关的小分子系统的量子散射计算和亚稳态的L（2）计算。
6. Quantum Chemistry on Quantum Computers: A Method forPreparation of Multiconfigurational Wave Functions on Quantum Computerswithout Performing Post-Hartree–Fock Calculations [O] . Kenji Sugisaki, *, Shigeaki Nakazawa, 2019

机译：量子计算机上的量子化学：一种方法在量子计算机上准备多配置波函数不执行后Hartree-Fock计算
7. Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree–Fock Calculations [O] . Kenji Sugisaki, Shigeaki Nakazawa, Kazuo Toyota, 2018

机译：量子计算机上的量子化学：一种在不执行Hartree-Fock计算后的量子计算机上制备多功能性波函数的方法

A quantum calculation

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