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A MULTIMODE-LIKE SELECTION OF CENTERS OF GAUSSIAN BASIS FUNCTIONS WHEN COMPUTING VIBRATIONAL SPECTRA USING COLLOCATION

机译：使用搭配计算振动谱时高斯基础函数的多模类选择

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Sergei Manzhos; Tucker Carrington; Xiao-Gang Wang;
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1. A multimode-like scheme for selecting the centers of Gaussian basis functions when computing vibrational spectra [J] . Manzhos Sergei, Wang Xiaogang, Carrington Tucker Jr. Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature . 2018,第期

机译：用于在计算振动谱时选择高斯基础函数中心的多模体方案
2. Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation [J] . Manzhos Sergei, Carrington Tucker The Journal of Chemical Physics . 2016,第22期

机译：使用内部坐标高斯基础和空间固定的笛卡尔坐标动能算子来计算具有矩形搭配的振动谱
3. On the advantages of a rectangular matrix collocation equation for computing vibrational spectra from small basis sets [J] . Manzhos S., Yamashita K., Carrington Jr. T. Chemical Physics Letters . 2011,第4a6期

机译：利用矩形矩阵搭配方程计算小基数振动谱的优势
4. Using simply contracted basis functions with the Lanczos algorithm to calculate vibrational spectra [C] . Xiao-Gang Wang, Tucker Carrington Jr. High Performance Computing Systems and Applications and the OSCAR Symposium . 2003

机译：使用简单的收缩基函数和Lanczos算法来计算振动谱
5. Computing Rovibrational Spectra of Small Polyatomic Molecules with Variational and Collocation Methods [D] . Simmons, Jesse. 2019

机译：用变分和搭配方法计算小型多原子分子的振动光谱
6. An intertwined method for making low-rank sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms [O] . Phillip S. Thomas, Tucker Carrington Jr. -1

机译：一种用于生成低秩乘积和基函数的方法可以计算具有10个以上原子的分子的振动光谱
7. An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms [O] . Phillip S. Thomas, Tucker Carrington 2017

机译：一种用于制造低秩，产品和基础函数的交错方法，使得可以计算具有超过10个原子的分子的振动光谱

A MULTIMODE-LIKE SELECTION OF CENTERS OF GAUSSIAN BASIS FUNCTIONS WHEN COMPUTING VIBRATIONAL SPECTRA USING COLLOCATION

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