Title of article :
Quantum-mechanical modeling of minerals at high pressures. The role of the Hamiltonian in a case study: the beryl (Al4Be6Si12O36)
Author/Authors :
Mauro Prencipe، نويسنده , , Fabrizio Nestola، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2005
Keywords :
Beryl - Quantum-mechanical calculation - Hartree–Fock - Density functional - B3LYP - High pressure
Journal title :
Physics and Chemistry of Minerals
Journal title :
Physics and Chemistry of Minerals
