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Questions tagged [basis-set]

A linearly independent set of elements of a vector space such that any element in that vector space can be expressed as a linear combination of the elements of the basis.

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How to do FEM in sector elements?

Suppose we have an element in the polar coordinate as $0\leq r\leq 1$, $0\leq\theta\leq \alpha$. What are the correct basis functions in this element? For this kind of mesh, there are a lot of ...
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Multi-matrix orthogonal basis problem

Suppose we are given a set of symmetric, positive definite matrices $A_1,A_2,\ldots,A_k\in\mathbb{R}^{n\times n}$. Is there any numerical method or reduction to a known problem (e.g. eigenvalue ...
3
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How should I choose the knot sequence when using B-splines as a basis for solving a PDE?

I'm looking to solve the Schrödinger equation with a basis made of a tensor product of basis splines. A number of papers describe calculations made with a program designed this way, but they never ...
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Forming Basis Functions from 6-31G Basis Set for Carbon Atom

I am a computer science grad and I am working to write an electronic structure calculation program and I am stuck at forming basis functions using 6-31G Basis set for atoms having higher atomic ...
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Size reduction of matrices in dispersion curve calculation

I have an energy dispersion curve obtained from the eigenvalues of $$E(k) = \text{eig}(T e^{ik} + T^H e^{-ik} + H_0),$$ where $H_0$ and $T$ are $N\times N$ square matrices, $T^H$ is the Hermitian ...