Elementary Condensed Matter Physics
Antonio H. Castro Neto
January 3, 2003Chapter 1
Atoms and Molecules
1.1 Interactions in Isolated Atoms
Tn crder to understand the properties of solids one has to be able to de-
scribe their constituents and how they interact with each other, Solids
are made out of arrays of atoms that ate composed of electrans, protons
and neutrons. Elementary quantum mechanics describes very well the
Dehavior of isolated atoms such as Hydrogen. Most of the properties of
solids depend on the behaviar of electrons and protons. These are enti-
ties that have opposite charge, a large mass difference (the mass of the
proton, 7Mip, is approximately 1000 times the electron mass, me). and
different spatial position in the atom. The nucleus occupies the center
of the atom and its much smaller than the surrounding electronic cloud
which is extended over large distances (1078 = Li) if compared with
the mcleus size (10-m = 1 fm). Since the characteristic distances in
solids are of order of a few A it is the electron who plays a major role
on the properties of solids.
The basic physics of atoms can be understood starting from the
Hydrogen atom. The Hamiltonian that describes the Hydrogen atom
is given by
=, R__é
2mp * 2me FP—Tel
(1)
where pp (p.) is the momentum, rp (t.) the position of the proton
(electron) and ¢ is the electric charge. Remember that in quantum
12 CHAPTER 1. ATOMS AND MOLECULES
mechanics these quantities are operators that act on a Hilbert space of
functions. Moreover, momentum and position are conjugated so that
they obey commutation rules, namely,
Lip, = thdig (1.2)
where we have introduced the components of the vector as ¥ = (215202523)
and P = (.,P2,Ps) (6iy = 1 if i= j and O otherwise is called the Kro-
nocker delta). Moreover, the operators for the electron and proton
commute among themselves since they are distinct from each other.
The state of the system can be represented in terms of the positions of
electron and proton by a bra |rp,te,de,0r) where o is the spin degree
of freedom of each one of the particles. From basic quantum mechan
ics one knows that protons and electrons have spin 1/2 and therefore
are called fermions. In this case can only have two possible pro-
Jections on a fixed axis, that is, up (ft) or down (J). Observe that
although irp,te,0e0p) is a legitimate state of the problem and span
the whole Hilbert space of solutions it does not represent an eigenstate
of the Hamiltonian. ‘The reason for that is that the mementum op-
erator which appears in the kinetic term of (1-1) does not commute
with the position operator and therefore it induces transitions between
states with different positions (that i, the electron and proten move
around!)
‘As usual in any problem in quantum mechanics one has to find the
basis that properly describe the system of interest. The obvious thing
todo, as in classical mechanics, it is to transform the Hamiltonian (1-1)
to the center of mass and relative coonlinate. In onder to do it we define
R= $retre)
r= rp-%, (1.3)
which are the center of mass and relative coordinate of the system. In
terms of these new coordinates the Hamiltonian becomes,
where M = m, + my is the total mass and jx
reduced mass of the system. Observe that since m, * 100m, we can