Density Functional Theory Pre Test

What does Density Functional Theory (DFT) primarily aim to compute?

• Nuclear motion in molecules

• Electron density and energy of a system

• Thermal properties of materials

• Molecular vibrations

Which of these is an example of an exchange-correlation functional in DFT?

• Hartree-Fock
  
  

• Local Density Approximation (LDA)

• Newton-Raphson Method

• Lennard-Jones Potential

What is the primary variable in DFT calculations?

• Total energy

• Electron density

• Molecular orbitals

• Lattice constants

The DFT framework is most commonly applied to:

• Quantum field theory problems

• Electronic structure calculations of atoms, molecules, and solids

• Classical trajectory simulations

• Gravitational wave analysis

What property does DFT aim to minimize in its calculations?

• Kinetic energy

• Total electronic energy

• Nuclear interaction forces

• Magnetic moment