Density Functional Theory

What is the main purpose of Density Functional Theory (DFT)?

• To design circuits
• To study mechanical systems
• To determine electronic structure of materials
• To perform thermal analysis

Which type of particle is most important in DFT?

• Protons
• Neutrons
• Electrons
• Photons

What equation is central to DFT calculations?

• Schrödinger equation
• Kohn-Sham equation
• Fourier equation
• Ohm’s law

DFT is widely used in which field?

• Structural engineering
• Nanoelectronics
• Civil engineering
• Fluid mechanics

Which type of electrons mainly affect chemical bonding?

• Inner core electrons
• Photons
• Neutrons
• Valence electrons

What do Kohn-Sham equations help calculate?

• Structural load
• Magnetic flux
• Electron density
• Heat capacity

Which property can be studied using DFT?

• Water pressure
• Band structure of a material
• Tensile strength
• Boiling point

Which method does not approximate the potential form?

• Full potential method
• Pseudo-potential method
• Approximate DFT
• Fourier method

Core electrons usually:

• Contribute to bonding
• Screen the nucleus charge
• Generate light
• Form molecules

Which is true about valence electrons?

• They stay close to the nucleus
• They screen the nuclear charge
• They are involved in bonding
• They are not affected by DFT