A simple algorithm for determining total electronic energy by the extended Hückel molecular orbital method

Correlation of core electron binding ene

Correlation of core electron binding energies with the average potential at a nucleus: carbon 1s and extended Hückel theory valence molecular orbital potentials

✍ M.E. Schwartz 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 459 KB

Binding energy shiffts spanning a range of 9 eV for carbon 1s electrons in twenty different environments have been correlated wivith the properly calculated average potential at the carbon nucleus due to the ocher nuclei (with nuclear charges appropriately reduced by their core electro\_m) and the v