مشخصات پژوهش

عنوان	Evaluation of Accurate Absolute Hardness: A New Approach I
نوع پژوهش	مقاله ارائه شده کنفرانسی
کلیدواژه‌ها	Ground State Electronic Energy, Absolute Hardness, Chemical Potential, Maximum Hardness Principle
چکیده	The following simple form is considered for the electronic energy as a function of the number of electrons: E(N) = {1-exp(-(N-)}2 -  where  , , and  are adjustable parameters. First and second-order derivatives of this equation with respect to N, which are related to chemical potential and hardness, respectively are: [E/N]= =2  exp(-(N0-)) {1- e-(N0-)} and 1/2 [2E/N2] =  = 2 exp(-(N0-)) {2 exp(- (N0-)-1} where N0 is the number of electrons in the neutral system. The values obtained for the hardnesses from above equation and the corresponding experimental hardnesses are then compared to each other.
پژوهشگران	سیامک نوری زاده (نفر اول)، هادی پارسا (نفر دوم)