Ch7. Optimization
Ch7. Optimization
Optimization
[( ) ( ) ]
12 6
𝜎 𝜎
𝐸 (𝑟 )=4 𝜀 −
𝑟 𝑟
and are parameters, e.g., for argonand .
1+ √ 5
𝜙= =1.618 …
2
𝑙1 +𝑙 2 𝑙 1
= =𝜙
𝑙1 𝑙2
• Error quantification:
(𝑖) (𝑖 ) ( 𝑖) ( 𝑖) (𝑖 )
𝐸 =max ( 𝑥 − 𝑥 , 𝑥 − 𝑥 )
𝑎 2 1 3 2
𝜀(𝑎𝑖) =
| |𝐸(𝑎𝑖)
𝑥 (𝑖 )
2
× 100 %