The evaluation of near-edge-Xray-absorption-fine-structure and Major parts where the present version offers as advanced features in The initial version of StoBe wasīased on the deMon program code, originally written under the direction of D. Numerical details of this implementation can be found in references of the StoBe manual. Kohn-Sham Density Functional Theory equations using a LinearĬombinations of Gaussian Type Orbitals ( LCAO) approach. The approach is based on self-consistent solutions of the Well as spectroscopic and other properties of molecules and atomĬlusters. Numerical program package to evaluate and analyze the electronic structure as The software package StoBe ( Stockholm- Berlin) is a Note that as of April 2022 the StoBe homepage has been moved and the software Properties of molecules and (atom) clusters PC-based software to evaluate electronic states and Density Functional Theory molecule/cluster package)
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