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First Principle

Quantum mechanics play a main role in the simulation of atoms and molecules . Using quantum mechanics means "correct" simulation for atoms and molecules. It is called " First Principle" or " ab initio " calculation.

Difference between Physics and Chemistry.

First Principle is used both in physics and in chemistry. But their systems are different.

• Physics - Crystal (periodic structure)
• Chemistry - Molecules (This field is called "Quantum chemistry" or " Molecular orbital method " )

What Does First Principle Study

For example, Lead Free and First Principle Calculation was written to explain the result of First Principle.

NEXT Lead Free and First Principle Calculation