Generating dipole vector

  • Thread starter greisen
  • Start date
  • #1
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Hi all,

I want to generate the dipole vector for a water molecule. I start by generating the dipole moment of the molecule by the formula

\mu = \sum Q_a * R_ab

but I dont know how to generate the dipole vector? Any help appreciated. Thanks in advance
 

Answers and Replies

  • #2
182
0
Hi all,

I want to generate the dipole vector for a water molecule. I start by generating the dipole moment of the molecule by the formula

\mu = \sum Q_a * R_ab

but I dont know how to generate the dipole vector? Any help appreciated. Thanks in advance

overall dipole moment should be the vector sum of individual dipole moments of molecules. if you know the dipole moments of H and O in water, add them by vector laws to get the vector sum
 

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