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Atoms are continuously moving, their displacements from the “equilibrium” position being contrasted by a “restoring” force field. Arough (although useful) approximation is that of considering such a force field to derive from resistance to altering “ideal” values of bond lengths and angles concerning the atom k in question with its neighbours k′, or also from electrostatic interaction with the other charged atoms in the molecule or – more in general – in the crystal structure.

A well-known ideal case for a molecule (see also below) occurs when the force F is proportional to the atomic displacement Δri, (i = 1, 2, 3 if the displacement is along x, y, or z), i.e., Fi = −ΦiiΔri, where Φii is a “force constant”. In this case the following equation can be written:
formula
where m(k) is the atomic mass and t is time. More in general, if the interaction with many atoms k′ and the dependence of Fi on the other components of the shift are considered as well, we can write a summation of all these effects:
formula
where F(k) is the force acting upon the atom k, and Φ(kk′) and Δr(k′,t) are the corresponding “force constant matrices” and “displacement vectors”, respectively. It is useful considering that the elements of Φ(kk′) are the second derivatives of the potential energy E with respect to the atomic shifts, and such derivatives are considered to be time-independent, i.e.

Φ(kk′)ij = 

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