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Mariam Zaarour
Supervised by : Dr. Hussein Fakih
Problem
Let 𝑢 = 𝑢1 , 𝑢2 , … , 𝑢𝑛 𝒃𝒆 𝒕𝒉𝒆 𝒑𝒉𝒂𝒔𝒆 𝒗𝒂𝒓𝒊𝒂𝒃𝒍𝒆 𝒂𝒏𝒅 𝛺 be a bounded domain of
𝑛
𝑅 𝑁 = 2, 3 . 𝑊𝑒 𝑎𝑠𝑠𝑢𝑚𝑒 𝑡ℎ𝑎𝑡
𝑛
𝑖=1 𝑢𝑖 = 1 and 0≤ 𝑢𝑖 ≤ 1 , 𝑖 = 1, 2, … , 𝑛
We define the hyperplane
𝑛 𝑛
S=*𝑢 ∈ 𝑅 𝑠𝑢𝑐ℎ 𝑡ℎ𝑎𝑡 𝑖=1 𝑢𝑖 = 1+
Suppose that the free energy can be written as :
1 𝑛 2
E 𝑢 = 𝑗 𝑥 − 𝑦 𝑖=1( 𝑢𝑖 𝑥 − 𝑢𝑖 𝑦 ) + 𝐹 𝑢 𝑑𝑢
1
4
𝑛 2 1 𝑛
References
= 𝑗 𝑥−𝑦 𝑖=1 𝑢𝑖 𝑥 − 𝑗 𝑥 − 𝑦 𝑖=1 𝑢𝑖 𝑥 𝑢𝑖 (𝑦) + 𝐹 𝑢 𝑑𝑢
2 2
𝜕𝐸 𝜕𝐹(𝑢𝑖 ) 1 𝑛 𝜕𝐹(𝑢𝑖 ) [1] Paul Van Dooren Université catholique de Louvain Louvain-la-Neuve, Belgium. Dublin, August 2009
𝑛 𝑛
𝜇𝑖 = = 𝑖=1 (j ∗ 1)𝑢𝑖 -- 𝑖=1 j ∗ 𝑢𝑖 + 𝜕𝑢 -𝑛 𝑖=1 𝜕𝑢 Inspired from the course notes of V. Blondel and L. Wolsey (UCL)
𝜕𝑢𝑖 𝑖 𝑖
[2] S. Saha Ray, Graph Theory with Algorithms and its Applications, DOI: 10.1007/978-81-322-0750-4_2,
The constraint has to hold everywhere and every time, in order to insure this Springer India 2013
𝑛 𝜕𝐹(𝑢𝑖 )
constraint we add 𝑖=1 which is the lagrangain multiplier. [3] J. Chem. InJ Compur. Sci. 1985, 25, 334-343 ALEXANDRU T. BALABAN Department of Organic
𝜕𝑢𝑖 Chemistry, Polytefhnic Institute. 76206 Bucharest, Roumania Received March 12. 1985