Virial theorem in the Kohn-Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

Física y astronomía

• virial theorem 75%
• quantum theory 57%
• density functional theory 42%
• formalism 40%
• molecules 29%
• atoms 28%
• kinetic energy 22%
• energy 16%
• nuclear energy 14%

Química

• Virial Theorem 100%
• Quantum Theory 70%
• Density Functional Theory 34%
• Energy 26%
• Molecule 19%
• Kinetic Energy 16%
• Error 10%