Recent content by ewan_71

  1. E

    Graduate Interatomic forces in an ensemble via vector analysis

    Hi all, My question is about obtaining the force between two particular atoms in an ensemble. Please excuse my ignorance on this topic. I can calculate all the forces in the system by the Hellmann–Feynman theorem using any quantum mechanical code. This is the print out from such a code...
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    Undergrad Force Vectors and Dot Products

    Thanks guys that's extremely helpful! :)
  3. E

    Undergrad Force Vectors and Dot Products

    Hello all :smile:, I am interested in the following problem: In an ensemble of atoms, the forces on atom A and atom B are given by the vectors Fa=Fax+Fay+Faz and Fb=Fbx+Fby+Fbz, respectively. Their respective positions are given by, Pa=Pax+Pay+Paz and Pb=Pbx+Pby+Pbz I have two...
  4. E

    Undergrad Forces Vectors And Dot Products

    Hello all :smile:, I am interested in the following problem: In an ensemble of atoms, the forces on atom A and atom B are given by the vectors Fa=Fax+Fay+Faz and Fb=Fbx+Fby+Fbz, respectively. There respective positions are given by, Pa=Pax+Pay+Paz and Pb=Pbx+Pby+Pbz I have two...