a quantum system. In the case of electrons, the quantum numbers can be defined as
"the sets of numerical values which give acceptable solutions to the Schrdinger wave
equation for the hydrogen atom". An important aspect of quantum mechanics is
the quantization of observable quantities, since quantum numbers are discrete sets of
integers or half-integers, although they could approach infinity in some cases. This
distinguishes quantum mechanics from classical mechanics where the values that
characterize the system such as mass, charge, or momentum, range continuously.
Quantum numbers often describe specifically the energy levels ofelectrons in atoms, but
other possibilities include angular momentum, spin, etc. Any quantum system can have
one or more quantum numbers; it is thus difficult to list all possible quantum numbers.
Traditional nomenclatures[edit]
Hund-Mulliken molecular orbital theory[edit]
Many different models have been proposed throughout the history of quantum
mechanics, but the most prominent system of nomenclature spawned from the HundMulliken molecular orbital theory of Friedrich Hund, Robert S. Mulliken, and contributions
from Schrdinger, Slater and John Lennard-Jones. This system of nomenclature
incorporated Bohr energy levels, Hund-Mulliken orbital theory, and observations on
electron spin based on spectroscopy and Hund's rules.[1]
This model describes electrons using four quantum numbers, n, , m, ms, given below. It
is also the common nomenclature in the classical description of nuclear particle states
(e.g. protons and neutrons). A quantum description of molecular orbitals require different
quantum numbers, because the Hamiltonian and its symmetries are quite different.
1.
The principal quantum number (n) describes the electron shell, or energy level,
of an electron. The value of n ranges from 1 to the shell containing the outermost
electron of that atom, i.e.[2]
n = 1, 2, ... .
For example, in caesium (Cs), the outermost valence electron is in the shell
with energy level 6, so an electron in caesium can have an n value from 1 to
6.
2.
L2 = 2 ( + 1).
In chemistry and spectroscopy, " = 0" is called an s orbital, " = 1" a p orbital,
" = 2" a d orbital, and " = 3" an f orbital.
The value of ranges from 0 to n 1, because the first p orbital ( = 1)
appears in the second electron shell (n = 2), the first d orbital ( = 2) appears
in the third shell (n = 3), and so on:[3]
= 0, 1, 2,..., n 1.
3.
L z = m .
The values of m range from to , with integer steps between them:[4]
4.
S z = ms .
In general, the values of ms range from s to s, where s is the spin quantum
number, an intrinsic property of particles:[5]
ms = s, s + 1, s + 2,...,s 2, s 1, s.
An electron has spin number s = , consequently ms will be ,
referring to "spin up" and "spin down" states. Each electron in any
individual orbital must have different quantum numbers because of
the Pauli exclusion principle, therefore an orbital never contains more
than two electrons.
Note that there is no universal fixed value for m and ms values. Rather,
the m and ms values are random. The only requirement is that the naming schematic
used within a particular set of calculations or descriptions must be consistent (e.g. the
orbital occupied by the first electron in a p orbital could be described as m = 1 or m = 0
or m = 1, but the m value of the next unpaired electron in that orbital must be different;
yet, the m assigned to electrons in other orbitals again can be m = 1 or m = 0, or m = 1
).
These rules are summarized as follows:
Name
Symbol
Range of
values
Orbital meaning
Value
examples
principal quantum
number
shell
azimuthal quantum
number (angular
momentum)
subshell (s orbital is
for n = 3:
listed as 0, p orbital as 0 n 1 = 0, 1, 2 (s, p,
1 etc.)
d)
magnetic quantum
number, (projection
ofangular momentum)
energy shift
(orientation of the
subshell's shape)
for = 2:
m = 2, 1, 0,
1, 2
ms
for an
electron s = ,
so ms = ,
1n
n = 1, 2, 3,
Example: The quantum numbers used to refer to the outermost valence electrons of
the Carbon (C) atom, which are located in the 2p atomic orbital, are; n = 2 (2nd
electron shell), = 1 (p orbital subshell), m = 1, 0 or 1, ms = (parallel spins).
Results from spectroscopy indicated that up to two electrons can occupy a single
orbital. However two electrons can never have the same exact quantum state nor the
same set of quantum numbers according to Hund's rules, which addresses the Pauli
exclusion principle. A fourth quantum number with two possible values was added as
an ad hoc assumption to resolve the conflict; this supposition could later be
explained in detail by relativistic quantum mechanics and from the results of the
renowned SternGerlach experiment.
j = | s|
which gives the total angular momentum through the relation
J = j (j + 1).
2
mj = j, j + 1, j + 2,...,j 2, j 1, j
mj = m + ms and |m + ms| j.
3. Parity
This is the eigenvalue under reflection, and is positive (+1) for states which
came from even and negative (1) for states which came from odd . The
former is also known as even parity and the latter as odd parity, and is
given by
P = (1).
For example, consider the following eight states, defined by their quantum numbers:
n m ms
+
s
- m + m
s
s
#1. 2 1 1 +1/2
3/2 1/2
3/2
#2. 2 1 1 -1/2
3/2 1/2
1/2
#3. 2 1 0 +1/2
3/2 1/2
1/2
#4. 2 1 0 -1/2
3/2 1/2
-1/2
#5. 2 1 -1 +1/2
3/2 1/2
-1/2
#6. 2 1 -1 -1/2
3/2 1/2
-3/2
#7. 2 0 0 +1/2
1/2 -1/2
1/2
#8. 2 0 0 -1/2
1/2 -1/2
-1/2
mj =
mj =
mj =
mj =
mj =
mj =
mj =
mj =
I = |jn jp|, |jn jp| + 1, |jn jp| + 2,..., (jn + jp) 2, (jn + jp) 1, (jn + jp)
Parity with the number I is used to label nuclear angular momentum
states, examples for some isotopes of Hydrogen (H), Carbon (C),
and Sodium (Na) are;[8]
H11 I = (1/2)+ C69
H12 I = 1+
C610
3
+
H1 I = (1/2) C611
C612
C613
I = (3/2)
I = 0+
I = (3/2)
I = 0+
I = (1/2)
Na1120
Na1121
Na1122
Na1123
Na1124
I = 2+
I = (3/2)+
I = 3+
I = (3/2)+
I = 4+
C614 I = 0+
Na1125 I = (5/2)+
15
+
C6 I = (1/2) Na1126 I = 3+
The reason for the unusual fluctuations in I, even by differences of
just one nucleon, are due to the odd/even numbers of protons and
neutrons - pairs of nucleons have a total angular momentum of zero
(just like electrons in orbitals), leaving an odd/even numbers of
unpaired nucleons. The property of nuclear spin is an important
factor for the operation of NMRspectroscopy in organic chemistry,
[7]
and MRI in nuclear medicine,[8] due to the nuclear magnetic
moment interacting with an external magnetic field.
Elementary particles[edit]
For a more complete description of the quantum states of
elementary particles, see Standard model and Flavour (particle
physics).
Elementary particles contain many quantum numbers which are
usually said to be intrinsic to them. However, it should be
understood that the elementary particles are quantum states of
thestandard model of particle physics, and hence the quantum
numbers of these particles bear the same relation to
the Hamiltonian of this model as the quantum numbers of the Bohr
atomdoes to its Hamiltonian. In other words, each quantum number
denotes a symmetry of the problem. It is more useful in quantum
field theory to distinguish
between spacetime and internalsymmetries.
Typical quantum numbers related to spacetime
symmetries are spin (related to rotational symmetry), the parity, Cparity and T-parity (related to the Poincar symmetry of spacetime).
Typical internal symmetries[clarification needed] are lepton
number and baryon number or the electric charge. (For a full list of
quantum numbers of this kind see the article on flavour.)
Multiplicative Quantum
Numbers[edit]
A minor but often confusing point is as follows: most conserved
quantum numbers are additive, so in an elementary particle
reaction, the sum of the quantum numbers should be the same
before and after the reaction. However, some, usually called
a parity, are multiplicative; i.e., their product is conserved. All
multiplicative quantum numbers belong to a symmetry (like parity) in
which applying the symmetry transformation twice is equivalent to
doing nothing (involution). These are all examples of an
abstract group called Z2.