ENERGY MODELLING IN MINERALS

ENERGY MODELLING IN MINERALS

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Nothing providedThis allows one to consider the quantum-mechanical problem in the framework offixed nuclei, whose positions determine the ... it can remove degeneracies of electron levels at high-symmetry points of the reciprocal space (Ashcroft aamp; Mermin, 1976). ... 14 In atomic units, h I„ = m e = e2 Ab initio theory of phase transitions and thermoelasticity of minerals 125 Part IV: Simulation methods General remarks.


Title:ENERGY MODELLING IN MINERALS
Author: C.M. Gramaccioli
Publisher:The Mineralogical Society of Great Britain and Ireland - 2002-01-01
ISBN-13:

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