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The total energy for the hydrogen molecule is -1.1789737 Hartrees. what is the binding energy (
in KJ/mol ) of the molecule ?
Solution
Eb =Et-E0
whr Et = total energy of H2 molecule which is -32.08ev
and E0 = ground state energy of hydrogen molecuel which is -1.17ev
hence Eb= -32.08+1.17
= -30.31ev
= -4.84 *10^-21 kJ
as 1ev = 1.6* 106-22kj
and 1 hartree = 27.2107 ev

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The total energy for the hydrogen molecule is -1.1789737 Hartrees. w.pdf

  • 1. The total energy for the hydrogen molecule is -1.1789737 Hartrees. what is the binding energy ( in KJ/mol ) of the molecule ? Solution Eb =Et-E0 whr Et = total energy of H2 molecule which is -32.08ev and E0 = ground state energy of hydrogen molecuel which is -1.17ev hence Eb= -32.08+1.17 = -30.31ev = -4.84 *10^-21 kJ as 1ev = 1.6* 106-22kj and 1 hartree = 27.2107 ev