The contribution of theory to the behavior of solids under pressure
The action of pressure on solid molecular structures
Article REF: AF3571 V1
The contribution of theory to the behavior of solids under pressure
The action of pressure on solid molecular structures

Author : Jean-Pierre PETITET

Publication date: October 10, 2003 | Lire en français

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5. The contribution of theory to the behavior of solids under pressure

The terms "first principle" and "ab initio" cover a field of techniques used to calculate the electronic properties of atomic and molecular assemblies without any experimental input apart from the atomic numbers of the atoms involved

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