Dr.Eman Zakaria Hegazy Quantum Mechanics and Statistical Thermodynamics Lecture 15 The shape of the hydrogen atom s Orbitals Are Spherically Symmetric - The hydrogen atomic wave functions depend on three quantum numbers, n, Ɩ, and m. - The quantum number n is called the principal quantum number and has the values 1,2,…… - The energy depends on only the principal quantum number through the equation En = -e2/ 8πε0a0n2. - The quantum number Ɩ - is called the angular momentum quantum number and has the values 0, 1, …….., n-1. - The angular momentum of the electron about the proton is determined completely by Ɩ through L= ħ√ Ɩ (Ɩ+1). - Note that the form of the radial wave functions depends on both n and Ɩ. - If Ɩ = 0 being denoted by s, Ɩ = 1 by p, Ɩ = 2 by d, Ɩ = 3 by f - The letter s, p, d, and f stand for sharp, principal, diffuse, and fundamental. - A wave function with n = 1 and Ɩ = 0 is called 1s wave function; one with n =2 and Ɩ = 0 a 2s wave function, and so on. [1] Dr.Eman Zakaria Hegazy Quantum Mechanics and Statistical Thermodynamics Lecture 15 - The third quantum number m is called the magnetic quantum number - It takes on the 2 Ɩ + 1 values m = 0, ±1, ±2, ……, ± Ɩ. - The z component of the angular momentum is determined completely by m through L z = m ħ. - The quantum number m is called the magnetic quantum number because the energy of a hydrogen atom in a magnetic field depends on m. - The (2 Ɩ + 1) – fold degeneracy in the absence of a magnetic field is split into 2 Ɩ + 1 different energies in the presence of a magnetic field, and this splitting depends on the (2 Ɩ + 1) different values that m can have. - This splitting is illustrated in figure (1). The complete hydrogen atomic wave functions depend on three variables and so plot them or to display them. - It is common to consider the radial and the angular parts separately. [2] Dr.Eman Zakaria Hegazy Quantum Mechanics and Statistical Thermodynamics Lecture 15 - The state of lowest energy of a hydrogen atom is the 1s state. The radial function associated with the 1s state is (Z = 1) R1s (r ) 2 r / a0 e 3/2 a0 (1) The radial wave functions are normalized with respect to integration over r, and so we have that 2 4 2 2 r / a0 dr r R ( r ) dr r e 1 (2) 1s 3 0 a0 0 2 For 1s state, the probability that the electron lies between r and r + d r Pr ob 4 2 2 r /a0 r e dr 3 a0 [3] (3) Dr.Eman Zakaria Hegazy Quantum Mechanics and Statistical Thermodynamics Lecture 15 Example1: Calculate the probability that an electron described by a hydrogen atomic 1s wave function will be found within one Bohr radius of the nucleus. Solution Prob (0≤ r≤ a0) = 4 2 2 r / a0 dr r e 3 a0 0 1 2 2 x dx x e =4 0 =4 1 0 2 x x 2 2x 2 e ( 2 4 8 ) 1 2 1 2 2 4( = 4 e 2 4 8 ) = 1-5e-2 = 0.323 - We must keep in mind that we are dealing with only the radial parts of the total wave function here. - The radial parts are easy to display because they depend on only the one coordinate r. - The angular parts depend on both 𝛉 and 𝛗 but in 1s Ɩ =0 and m=0 [4] Dr.Eman Zakaria Hegazy Quantum Mechanics and Statistical Thermodynamics Lecture 15 2 d d sin 0 - Prob (1s) = 1s (r , , ) 1s (r , , )r 2dr 0 (4) 2 4r 2 r /a0 e dr a03 - Eq. (4) as the same Eq.(3) because the 1s orbital is spherically symmetric, and so the integration over 𝛉 and 𝛗 introduces no additional factors. - We can use equation 4 to calculate average values of r. for example r 1s 4 3 3 2 r / a0 3 r e dr a0 a0 0 2 (4) - This equation can be used to determine the mostprobable distance of a 1s electron from the nucleus. [5]