We study the vibrations in a diatomic molecule with the reduced mass m. Let x = R − Re, which is the bonding distance deviation from equilibrium distance. Hamiltonian operator consist of two parts: H = H(0) + H(1), where H(0) is the Hamiltonian operator to a harmonic oscillator with force constant k, and H(1) = λx3 (λ is a constant < 0).
* Calculate the first order correction to the energy state v.
I apologise but i could not understand the form of hamiltonian. It could be either of 3 times lambda or lambda times x cubed. I solved for both. Hope this helps.
i calculated using v=0. But from the nature of the problem, even if you solve using a general form it will be same. Below are the results:
We study the vibrations in a diatomic molecule with the reduced mass m. Let x =...
Having trouble understanding how to normalize equations so a step by step answer would be appreciated [4] 2. The Harmonic Oscillator Hamiltonian is a good approximation to the Potential Energy Surface of a diatomic molecule around equilibrium. The Hamiltonian is given by 202 H = - 5 2 + 5*(R - R.)? (1) with u the reduced mass, k the force constant, R the variable describing distance between the two nuclei, and Re the equilibrium distance. The ground-state wavefunction of...
In class we solved the quantum harmonic oscillator problem for a diatomic molecule. As part of that solution we transformed coordinates from x, the oscillator displacement coordinate, to the unitless, y using the relationship where μ is the reduced mass of the diatomic molecule and k is the force constant. The solutions turned out to be: w(y)N,H, (y)e Where N is a normalization constant, H,(v) are the Hermit polynomials and v is the quantum number with values of v0,1,2,3,.. The...
4&5 only thnkyouu :) 3. The force constant for 119F molecule is 966 N/m. a) Calculate the zero-point vibrational energy using a harmonic oscillator potential. b) Calculate the frequency of light needed to excite this molecule from the ground state to the first excited state. 4. Is 41(x) = *xe 2 an eigenfunction for the kinetic energy operator? Is it an eigenfunction for potential energy operator? 5. HCI molecule can be described by the Morse potential with De = 7.41...
Quantum, 1D harmonic oscillator. Please answer in full. Thanks. Q3. The energy levels of the 1D harmonic oscillator are given by: En = (n +2)ha, n=0. 1, 2, 3, The CO molecule has a (reduced) mass of mco = 1.139 × 10-26 kg. Assuming a force constant of kco 1860 N/m, what is: a) The angular frequency, w, of the ground state CO bond vibration? b) The energy separation between the ground and first excited vibrational states? 7 marks] The...
= μ = 0.5 This problem deals with the vibrational motion of the H2 molecule (reduced mass- amu). The Hamiltonian for this system is: h2 d 1, e2ndxī + 2kx2. 5 pts] By direct substitution of the wavefunction labelled by the quantum number v, Where k is a constant related to the bond strength. V.(x), in the Schrödinger Equation, show that the wavefunction Ψ(x) = Noe- )' where α = ( corresponds to the ground vibrational state of H2 having...
1 Vibrational states of a diatomic molecule 1. Use Taylor expansion to get a harmonic approximation Vharmonic( 0.5k(r Ro2 of the following potential 2. Find the expressions for the equilibrium distance Ro and for the harmonic 3. Calculate the zero point energy in terms of the parameters of the given 4. Calculate the energy of a photon emitted upon a transition between ad- force constant k potential (a, ro and D jacent levels in terms of the parameters of the...
1. (50 points) Consider the particle in a one-dimensional box (0 s x S L). Assume a term is added to the Hamiltonian of the form: πχ V(x)g sin Sketch the potential and the expected eigenfunction (small g). In the limit of small g, find the second order correction to the ground state energy 2. (50 points) For a diatomic molecule rotating in free space, the Hamiltonian may be written: 12 21 Where L is the total angular momentum operator,...
Consider a CO molecule. The reduced mass is 1.14 x 10-26 kg. a) In Co the l = 0 to l = 1 rotational absorption line occurs at a wavelength of 2.6 mm (or frequency f = 1.15 x 1041 Hz). What is the bond length R (or equilibrium distance between the 2 atoms) of the CO molecule? b) When CO is dissolved in liquid carbon tetrachloride, infrared radiation of wavelength 4.67 um (or frequency f = 6.42 x 103...
A H2 molecule can be approximated by a simple harmonic oscillator with spring constant 1000 N/m. Note: you must use the reduced mass µ H = 1 2mH for this kind of problem. (a) Find the ground state energy in eV. (b) Find all possible wavelengths of photons emitted as the molecule decays from the third excited state eventually to the ground state.
5. (10 points) A simple function that looks like the potential well of a diatomic molecule is the Morse potential given by: U(x) = D. (1-e-Bx) (1) where, x is the displacement of the bond from its equilibrium position, and D. is the value of U(x) at large separations. D. is called the classical dissociation energy and is characterized by the depth of the potential well. We can expand U(x) in a Taylor series about x = 0 to obtain...