{"product_id":"optimized-lcao-method-and-the-electronic-structure-of-extended-systems-von-helmut-eschrig","title":"Optimized LCAO Method and the Electronic Structure of Extended Systems","description":"Theoretical and numerical details of an optimized LCAO (linear combination of atomic orbitals) method for the calculation of self-consistent bandstructures are given together with a variety of examples. The method will be a valuable tool both for researchers engaged in calculations and for scientists looking for numerical results of self-consistent bandstructure calculations. The presentation starts with an introduction to the modern many-body theory of electronic bandstructure. The essentials of the representation with a non-orthogonal basis and the usual tight-binding variants are critically reviewed. A variational approach to the optimization of atom-like basis orbitals is described together with an SCF procedure for band calculations. Complete numerical and graphic results for all elementary metals from lithium to zinc are given.\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783662025642\"\u003e\u003ch3\u003e\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Softcover - 9783662025642","offer_id":39424877789277,"sku":"9783662025642","price":53.49,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/71dd70e5-0ba2-4374-9c4b-370d190ed774.jpg?v=1775711653","url":"https:\/\/shop.autorenwelt.de\/products\/optimized-lcao-method-and-the-electronic-structure-of-extended-systems-von-helmut-eschrig","provider":"Autorenwelt Shop","version":"1.0","type":"link"}