Friday 23 October 2015

The Hydrogen Atom


Time-independent Schrödinger  equation 

The time-independent Schrödinger equation predicts that wave functions can form standing waves, called stationary states (also called "orbitals", as in atomic orbitals or molecular orbitals). These states are important in their own right, and if the stationary states are classified and understood, then it becomes easier to solve the time-dependent Schrödinger equation for any state. The time-independent Schrödinger equation is the equation describing stationary states. (It is only used when the Hamiltonian itself is not dependent on time. However, even in this case the total wave function still has a time dependency.) 
Time-independent Schrödinger equation (general 
E\Psi=\hat H \Psi
In words, the equation states: 
When the Hamiltonian operator acts on a certain wave function Ψ, and the result is proportional to the same wave function Ψ, then Ψ is a stationary state, and the proportionality constant, E, is the energy of the state Ψ. 
The time-independent Schrödinger equation is discussed further below. In linear algebra terminology, this equation is an eigenvalue equation. 
As before, the most famous manifestation is the non-relativistic Schrödinger equation for a single particle moving in an electric field (but not a magnetic field): 
Time-independent Schrödinger equation (single non-relativistic particle 
E \Psi(\mathbf{r}) = \left[ \frac{-\hbar^2}{2\mu}\nabla^2 + V(\mathbf{r}) \right] \Psi(\mathbf{r})



Application to the hydrogen atom 

Bohr's model of the atom was essentially a planetary one, with the electrons orbiting around the nuclear "sun." However, the uncertainty principle states that an electron cannot simultaneously have an exact location and velocity in the way that a planet does. Instead of classical orbits, electrons are said to inhabit atomic orbitals. An orbital is the "cloud" of possible locations in which an electron might be found, a distribution of probabilities rather than a precise location.[35] Each orbital is three dimensional, rather than the two dimensional orbit, and is often depicted as a three-dimensional region within which there is a 95 percent probability of finding the electron.[36] 
Schrödinger was able to calculate the energy levels of hydrogen by treating a hydrogen atom's electron as a wave, represented by the "wave function" Ψ, in an electric potential well, V, created by the proton. The solutions to Schrödinger's equation are distributions of probabilities for electron positions and locations. Orbitals have a range of different shapes in three dimensions. The energies of the different orbitals can be calculated, and they accurately match the energy levels of the Bohr model. 
Within Schrödinger's picture, each electron has four properties: 
  1. An "orbital" designation, indicating whether the particle wave is one that is closer to the nucleus with less energy or one that is farther from the nucleus with more energy; 
  2. The "shape" of the orbital, spherical or otherwise; 
  3. The "inclination" of the orbital, determining the magnetic moment of the orbital around the z-axis. 
  4. The "spin" of the electron. 
The collective name for these properties is the quantum state of the electron. The quantum state can be described by giving a number to each of these properties; these are known as the electron's quantum numbers. The quantum state of the electron is described by its wave function. The Pauli exclusion principle demands that no two electrons within an atom may have the same values of all four numbers. 
Image
The shapes of the first five atomic orbitals: 1s, 2s, 2px, 2py, and 2pz. The colours show the phase of the wave function. 
The first property describing the orbital is the principal quantum number, n, which is the same as in Bohr's model. n denotes the energy level of each orbital. The possible values for n are integers: 
n = 1, 2, 3\ldots
The next quantum number, the azimuthal quantum number, denoted l, describes the shape of the orbital. The shape is a consequence of the angular momentum of the orbital. The angular momentum represents the resistance of a spinning object to speeding up or slowing down under the influence of external force. The azimuthal quantum number represents the orbital angular momentum of an electron around its nucleus. The possible values for l are integers from 0 to n − 1: 
l = 0, 1, \ldots, n-1.
The shape of each orbital has its own letter as well. The first shape is denoted by the letter s (a mnemonic being "sphere"). The next shape is denoted by the letter p and has the form of a dumbbell. The other orbitals have more complicated shapes (see atomic orbital), and are denoted by the letters d, f, and g. 
The third quantum number, the magnetic quantum number, describes the magnetic moment of the electron, and is denoted by ml (or simply m). The possible values for ml are integers from −l to l: 
m_l = -l, -(l-1), \ldots, 0, 1, \ldots, l.
The magnetic quantum number measures the component of the angular momentum in a particular direction. The choice of direction is arbitrary, conventionally the z-direction is chosen. 
The fourth quantum number, the spin quantum number (pertaining to the "orientation" of the electron's spin) is denoted ms, with values +12 or −12. 


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