Low complexity algorithms for electronic structure calculations (Q1891099)
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scientific article; zbMATH DE number 758631
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| English | Low complexity algorithms for electronic structure calculations |
scientific article; zbMATH DE number 758631 |
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Low complexity algorithms for electronic structure calculations (English)
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28 May 1995
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This paper is concerned with electronic structure calculations which are based on Wannier, like localized orbitals or the related density matrix. Two classes of methods are presented in this paper: direct methods which calculate all quantities, such as the charge density, directly without the intermediate step of orbitals and localized orbital methods.
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low complexity algorithms
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Hamiltonian
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eigenfunction expansion
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electronic structure calculations
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localized orbitals
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density matrix
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direct methods
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0.7983836531639099
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0.7341850399971008
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