New method for the evaluation of the RKR potential-integrals for diatomic molecules

SURESH CHANDRA; A K SHARMA; Z H KHAN

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New method for the evaluation of the RKR potential-integrals for diatomic molecules

机译：评估双原子分子RKR电位积分的新方法

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摘要

We present a new method for the evaluation of the RKR potential-integrals for diatomic molecules. This method is straightforward and fast, and the calculations can be performed to an accuracy better than any other method.

机译：我们提出了一种新的方法来评估双原子分子的RKR电位积分。该方法简单，快速，与其他方法相比，其计算精度更高。

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来源
《Pramana》 |1996年第1期|p.65-77|共13页
作者
SURESH CHANDRA; A K SHARMA; Z H KHAN;
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作者单位

School of Sciences, Indira Gandhi National Open University, New Delhi 110068, India;

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收录信息美国《科学引文索引》(SCI);
原文格式 PDF
正文语种 eng
中图分类物理学;
关键词
diatomic molecules; potential energy curve;

机译：双原子分子;势能曲线;

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专利

1. Combined Application of the Pad Technique and the RKR Method for the Extrapolation of the Function of Potential Energy of Diatomic Molecules [J] . V. F. Golovko, S. N. Mikhailenko, Vl. G. Tyuterev Optics and Spectroscopy . 1996,第5期

机译：垫技术和RKR方法的组合应用外推双原子分子的势能函数
2. RKR potential-energy curve for diatomic molecules [J] . Suresh Chandra, U V Maheshwari, A K Sharma Indian Journal of Pure & Applied Physics . 1996,第12期

机译：双原子分子的RKR势能曲线
3. THE COMPUTATION OF RKR POTENTIAL ENERGY CURVES OF DIATOMIC MOLECULES USING MATHEMATICA [J] . PETER SENN Computers & Chemistry . 1995,第4期

机译：用数学方法计算电介质分子的RKR势能曲线
4. RKR- Potentials of Internuclear Interactions in Diatomic Molecules of Planet Atmospheres [C] . D. Alekhin, D. Klimov, S. Surzhikov AIAA Fluid Dynamics Conference . 2005

机译：行星大气双原子分子中核相互作用的RKR势。
5. Introductory work on laser spectroscopy of van der Waals complexes based on cadmium argon and cadmium krypton molecules: Experimental techniques and methods of data evaluation. [D] . Hu, Ji. 2007

机译：基于镉氩和镉k分子的范德华配合物的激光光谱学入门工作：实验技术和数据评估方法。
6. Evaluation of Density Functionals SCC-DFTB Neglect of Diatomic Differential Overlap (NDDO) Models and Molecular Mechanics Methods for Prolyl-Leucyl-Glycinamide (PLG) and Structural Derivatives [O] . Richard L. Wood, Brendan J. Young-Dixon, Abhrajeet Roy, -1

机译：对密度函数SCC-DFTB疏忽抗硅藻差分重叠（NDDO）模型及其具有衍生物的分子力学方法的评价
7. Diatomic molecule as a testbed for combining DMFT with electronic structure methods such as $GW$ and DFT [O] . Lee, Juho, Haule, Kristjan 2016

机译：双原子分子作为DmFT与电子相结合的试验台结构方法，如$ GW $和DFT
8. A numerical simplification and alternative to the RKR method for diatomic molecules [R] . Meador, W. E. 1965

机译：双原子分子的RKR方法的数值简化和替代

New method for the evaluation of the RKR potential-integrals for diatomic molecules

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