The local orbital energy and density fun
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Ralph G. Pearson; William E. Palke
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Article
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1990
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John Wiley and Sons
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English
β 398 KB
## Abstract From the viewpoint of density functional theory, an expression is derived which improves the average energy of a trial density. Applications to atoms and molecules are made using wave function methods and are based on properties of the variance, which is defined as \documentclass{articl