Hartree

 

 


 

Hartree

 

Chemistry and physics definitions of scientific terms

 

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Hartree

 

Chemistry and physics

 

Definition of hartree

 

Hartree-Fock method - A iterative procedure for solving the Schrodinger equation for an atom or molecule in which the equation is solved for each electron in an initial assumed po-tential from all the other electrons. The new potential that results is used to repeat the calculation and the procedure continued until convergence is reached. Also called self-consistent field (SCF) method. Heat capacity* - Defined in general as dQ/dT, where dQ is the amount of heat that must be added to a system to increase its temperature by a small amount dT. The heat capacity at constant pressure is Cp = (dH/dT)p that at constant volume is CV = (dE/dT)V , where H is enthalpy, E is internal energy, p is pressure, V is volume, and T is temperature. An upper case C normally indicates the molar heat capacity, while a lower case c is used for the specific (per unit mass) heat capacity.

 

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