First-principles quantum molecular-dynamics study of the vibrations of icosahedral C60

Keyphrases

• First-principles 100%
• Icosahedral 100%
• Molecular Dynamics Study 100%
• Quantum Molecular Dynamics 100%
• First-order 50%
• Atomic Force 50%
• Real Space 50%
• Parameter-free 50%
• Molecular Dynamics Calculations 50%
• Raman Active Modes 50%
• Ground State Energy 50%
• Energy Forces 50%
• Atomic Configuration 50%
• Mode Frequency 50%

Physics

• Molecular Dynamics 100%
• First Principle 100%
• Molecular Dynamics Study 100%
• Ground State 50%