Gaussian basis set
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- 1基底函數(Basis Functions) ∑
的集合我們稱為基底函數組(basis set)。傳統上用來做多電子原子及雙原子分子計算的 ... 等人在1950 年代提出使用所謂的Gaussian-type functions (GTO)：.
- 2Basis Sets | Gaussian.com
Most methods require a basis set be specified; if no basis set keyword is included in the route s...
- 3Basis Sets
Most methods require a basis set be specified; if no basis set keyword ... The following basis se...
- 4Lecture 8 Gaussian basis sets CHEM6085: Density Functional ...
We call such sets of more general AOs basis functions ... In the jargon of quantum chemistry a si...
- 5Basis set (chemistry) - Wikipedia
Dozens of Gaussian-type orbital basis sets have been published in the literature. ... Basis sets ...
