International Journal Open Access

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley

The Journal of Chemical Physics

1990

American Institute of Physics

10537 citations

Article

Eigenvalues and eigenvectors (0.70) Ritz method (0.59) Basis (linear algebra) (0.48) Polyatomic ion (0.47) Numerical analysis (0.46)

An all-electron numerical method for solving the local density functional for polyatomic molecules - Full text available via OpenAlex

B. Delley

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