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Interpolating Moving Least-Squares Methods for Fitting Potential Energy Surfaces: Applications to Classical Dynamics Calculations

机译：内插运动最小二乘法拟合势能面：在经典动力学计算中的应用

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Yin Guo; Akio Kawano; Donald L. Thompson; Albert F. Wagner; Michael Minkoff;
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年度 2013
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1. Interpolating moving least-squares methods for fitting potential energy surfaces: Applications to classical dynamics calculations [J] . Guo Y, Kawano A, Thompson DL, The Journal of Chemical Physics . 2004,第11期

机译：内插移动最小二乘法以拟合势能面：在经典动力学计算中的应用
2. Gradient incorporation in one-dimensional applications of interpolating moving least-squares methods for fitting potential energy surfaces [J] . Igor V. Tokmakov, Albert F. Wagner, Michael Minkoff Theoretical chemistry accounts . 2007,第4期

机译：一维应用中的梯度合并，以内插移动最小二乘法来拟合势能面
3. Gradient incorporation in one-dimensional applications of interpolating moving least-squares methods for fitting potential energy surfaces [J] . Igor V. Tokmakov, Albert F. Wagner, Michael Minkoff, Theoretical Chemistry Accounts . 2007,第4期

机译：一维应用内插移动最小二乘法拟合势能面的梯度合并
4. Efficient simulation of electromagnetic wave propagation in complex shaped domain by hybrid method of FDTD and MTDM based on interpolating moving least-squares method [C] . Taku Itoh, Soichiro Ikuno 17th Biennial IEEE Conference on Electromagnetic Field Computation . 2016

机译：基于插值移动最小二乘法的FDTD和MTDM混合方法在复杂形状域中电磁波传播的高效仿真
5. Semiclassical calculations of tunneling using interpolating moving least-squares potentials. [D] . Pham, Phong. 2012

机译：使用内插移动最小二乘势的隧道效应的半经典计算。
6. Prediction of Accurate Binding Modes Using Combination of Classical andAccelerated Molecular Dynamics and Free-Energy Perturbation Calculations:An Application to Toxicity Studies [O] . Filip Fratev, *, Thomas Steinbrecher, 2018

机译：结合经典与精确的结合模式预测加速的分子动力学和自由能扰动计算：在毒性研究中的应用
7. Interpolating Moving Least-Squares Methods for Fitting Potential Energy Surfaces: Analysis of an Application to a Six-Dimensional System [O] . Gia G. Maisuradze, Akio Kawano, Donald L. Thompson, 2013

机译：用于拟合势能面的插值移动最小二乘法：六维系统的应用分析
8. Collinear Classical Dynamics on a Chemically Accurate H(+)H2 Potential Energy Surface. [R] . Lester, W. A., Howard, R. E., Yates, A. C. 1976

机译：化学上准确的H（+）H2势能面上的共线经典动力学。

Interpolating Moving Least-Squares Methods for Fitting Potential Energy Surfaces: Applications to Classical Dynamics Calculations

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