Sökning: "SCEPIC"

Hittade 1 avhandling innehållade ordet SCEPIC.

1. 1. Towards a multiconfigurational description of the electronic structure in solids

   Författare :Ernst Dennis Larsson; Beräkningskemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Embedding; Solids; Ionic; ab-initio model potentials; multiconfigurational quantum chemistry; SCEPIC;

   Sammanfattning : Materials of ionic crystals are ubiquitous in industrial chemistry.For example, materials such as cerium dioixde (CeO2) are used in both self-cleaning ovens and to clean exhaust fumes from cars.Other materials, such as titanium dioixde (TiO2) has been used in the solar-cell industry.So-called garnets are used in several lasers. LÄS MER