Significance of an infinite nested radical number and its application in van der Waals potential functions

Teik-Cheng Lim

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Significance of an infinite nested radical number and its application in van der Waals potential functions

机译：无限嵌套根数的意义及其在范德华势函数中的应用

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This paper demonstrates the relations between a new mathematical constant and its relevance to the molecular potential energy function commonly adopted in computational chemistry softwares. This mathematical constant, 1.7767750401 (correct up to 12 decimal places), which fulfills the following infinite nested radical equation is shown to be applicable as the indices of a generalized Lennard-Jones potential energy function. This new potential function demonstrates very good agreement with the various versions of specific Lennard-Jones potential energy functions and the Buckingham potential function converted from the Lennard-Jones(12-6) function when the indices are positive integer multiples of the mathematical constant or when the indices are raised to the first four positive integer powers.

机译：本文演示了新的数学常数及其与计算化学软件中常用的分子势能函数的相关性之间的关系。满足以下无限嵌套式根方程的数学常数1.7767750401（校正至小数点后12位）显示适用作广义Lennard-Jones势能函数的指标。当索引为数学常数的正整数倍或当指数为正整数倍时，此新的势函数证明与特定版本的Lennard-Jones势能函数的各种版本以及从Lennard-Jones（12-6）函数转换的白金汉势函数非常吻合。索引被提高到前四个正整数幂。

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《Match》 |2007年第3期|共8页
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Teik-Cheng Lim;
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正文语种 eng
中图分类化学;
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1. Significance of an infinite nested radical number and its application in van der Waals potential functions [J] . Teik-Cheng Lim Match . 2007,第3期

机译：无限嵌套根数的意义及其在范德华势函数中的应用
2. Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers [J] . DiLabio GA Chemical Physics Letters . 2008,第4a6期

机译：使用具有有效核型势的标准密度泛函理论方法精确处理范德华相互作用：应用于含碳二聚体
3. Accurate treatment of van der Waals interactions using standard density functional theory methods with effective core-type potentials: Application to carbon-containing dimers [J] . DiLabio GA Chemical Physics Letters . 2008,第4a6期

机译：使用具有有效核型势的标准密度泛函理论方法精确处理范德华相互作用：应用于含碳二聚体
4. DYNAMIC CHARACTERISTICS OF FLYING HEAD SLIDER CONSIDERING VAN DER WAALS FORCES (ANALYSES BASED ON THE CORRECTED VAN DER WAALS FORCE EQUATION FOR MULTILAYERS) [C] . Hiroshige MATSUOKA, Satoru OHKUBO, Shigehisa FUKUI STLE/ASME Joint International Tribology Conference and Exhibition; Oct 27-29, 2003; Ponte Vedra Beach, Florida . 2003

机译：考虑范德华力的飞行头部滑架的动力学特性（基于多层修正的范德华力方程的分析）
5. Adaptive treatment ofvan der Waals interactions in empirical bond-order potentials with application to junction formation in carbon nanotubes. [D] . Liu, Aibing. 2007

机译：在经验键序势中范德华相互作用的自适应处理及其在碳纳米管结形成中的应用。
6. Van der Waals Phonon Polariton Microstructures: Van der Waals Phonon Polariton Microstructures for Configurable Infrared Electromagnetic Field Localizations (Adv. Sci. 13/2021) [O] . Wuchao Huang, Fengsheng Sun, Zebo Zheng, 2021

机译：van der Waals Phonon Polariton MicroStructure：Van der Waals Phonon可配置红外电磁场定位的POLARITON微结构（ADV。SCI。13/2021）
7. Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond [O] . T. Thonhauser, Valentino R. Cooper, Shen Li, 2008

机译：范德华力密度函数：自洽势和范德华键的性质
8. Non-Transferable van der Waals Potentials: Insulators at High Pressure [R] . Maggs, A. C. , Ashcroft, N. W. 1987

机译：不可转移的范德瓦尔斯电位：高压绝缘子

Significance of an infinite nested radical number and its application in van der Waals potential functions

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