Thermodynamic integration

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Used to calculate the free energy difference between two states. The path must be continuous and reversible. One has a continuously variable energy function Uλ such that λ=0, Uλ=U0 and λ=1, Uλ=U

ΔA=A−A0=∫01dλ<∂Uλ∂λ>λ


Uλ=(1−λ)U0+λU