Try   HackMD

The reduced mass of a phonon mode is implicitly contained in the normalization and metric of the phonon displacements.

The scalar product and with that the norm in the displacents' space is defined as:

(U,V)kmkUkVk

where

k is the atomic index and
mk
are the mass and the displacement of the atom
k
.

Each normal mode

ν is thus normalized according to the condition

(uν,uν)12=kmk(ukνukν)=1

With this metric one can then define the coordinate

Qν of for a generic displacement pattern
{Uk}
along normal node
{ukν}
as:

Qν=kmk(Ukukν)kmk(ukνukν)

This has units

[m]12[l] but
Qν
is also the value of the adimensional number representing the component of the
Uk
pattern along the
ukν
mode. Indicating the dimensional value as
Q¯ν
and the numerical value as
Q~ν
and considering that the modes are orthonormal we have

Q¯ν=Q~ν×kmk(ukνukν)

A way to define the reduced mass

μν could then be :
μν12=kmk(ukνukν)kukνukν

or

μν=kmk(ukνukν)kukνukν

and if we redefine the normal mode coordinate as

Q¯ν=LνQ~ν.
Lν=kukνukν
is a length and
Q~ν
the adimensional numerical value representing the projection of our pattern on mode
ν
; it is easy to see that
Q¯ν=μνQ¯ν

In this way for example the potential energy term of the normal mode oscillator would become

12ων2Q¯ν212μνων2Q¯ν2