Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants.
暂无分享,去创建一个
Donald L Thompson | Yin Guo | Albert F Wagner | Michael Minkoff | M. Minkoff | A. Wagner | D. Thompson | Yin Guo | I. Tokmakov | Igor Tokmakov
[1] Donald L Thompson,et al. Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction. , 2007, The Journal of chemical physics.
[2] Akio Kawano,et al. Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system. , 2004, The Journal of chemical physics.
[3] Joel M. Bowman,et al. The adiabatic rotation approximation for rovibrational energies of many-mode systems: Description and tests of the method , 1998 .
[4] R. Farwig,et al. Multivariate interpolation of arbitrarily spaced data by moving least squares methods , 1986 .
[5] Richard Dawes,et al. Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points. , 2007, The Journal of chemical physics.
[6] H. Rabitz,et al. Random sampling-high dimensional model representation (RS-HDMR) and orthogonality of its different order component functions. , 2006, The journal of physical chemistry. A.
[7] Peter Lancaster,et al. Curve and surface fitting - an introduction , 1986 .
[8] Michael A. Collins,et al. POLYATOMIC MOLECULAR POTENTIAL ENERGY SURFACES BY INTERPOLATION IN LOCAL INTERNAL COORDINATES , 1998 .
[9] P. Lancaster. Curve and surface fitting , 1986 .
[10] Donald L. Thompson,et al. Interpolating moving least-squares methods for fitting potential energy surfaces: Detailed analysis of one-dimensional applications , 2003 .
[11] B. Kuhn,et al. A new six-dimensional analytical potential up to chemically significant energies for the electronic ground state of hydrogen peroxide , 1999 .
[12] Akio Kawano,et al. Improving the accuracy of interpolated potential energy surfaces by using an analytical zeroth-order potential function. , 2004, The Journal of chemical physics.
[13] H. Rabitz,et al. High Dimensional Model Representations , 2001 .
[14] Michael A. Collins,et al. Molecular potential-energy surfaces for chemical reaction dynamics , 2002 .
[15] R Komanduri,et al. Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks. , 2005, The Journal of chemical physics.
[16] H. Rabitz,et al. A global H2O potential energy surface for the reaction O(1D)+H2→OH+H , 1996 .
[17] Reinhard Farwig,et al. Rate of convergence of Shepard's global interpolation formula , 1986 .
[18] Akio Kawano,et al. Interpolating moving least-squares methods for fitting potential energy surfaces: applications to classical dynamics calculations. , 2004, The Journal of chemical physics.
[19] Akio Kawano,et al. Interpolating moving least-squares methods for fitting potential-energy surfaces: further improvement of efficiency via cutoff strategies. , 2006, The Journal of chemical physics.