{"product_id":"full-potential-electronic-structure-method-energy-and-force-calculations-with-density-functional-and-dynamical-mean-field-theory-von-mebarek-alouani-per-andersson-anna-delin-olle-eriksson-oleksiy-grechnyev-john-m-wills","title":"Full-Potential Electronic Structure Method","description":"This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the ?rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now? The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e?ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally ?exible, the code required experience to be used e?ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its ?exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e?ect of new models.\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783642151439\"\u003e\u003ch3\u003eEnergy and Force Calculations with Density Functional and Dynamical Mean Field Theory\u003c\/h3\u003e\u003c\/div\u003e\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783642266249\"\u003e\u003ch3\u003eEnergy and Force Calculations with Density Functional and Dynamical Mean Field Theory\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Hardcover - 9783642151439","offer_id":28557723271261,"sku":"9783642151439","price":106.99,"currency_code":"EUR","in_stock":true},{"title":"Softcover - 9783642266249","offer_id":39431899185245,"sku":"9783642266249","price":106.99,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/0229c4c4-0bf9-4328-8d74-bbb82aea9235.jpg?v=1778044651","url":"https:\/\/shop.autorenwelt.de\/products\/full-potential-electronic-structure-method-energy-and-force-calculations-with-density-functional-and-dynamical-mean-field-theory-von-mebarek-alouani-per-andersson-anna-delin-olle-eriksson-oleksiy-grechnyev-john-m-wills","provider":"Autorenwelt Shop","version":"1.0","type":"link"}