1. Limited time only! Sign up for a free 30min personal tutor trial with Chegg Tutors
    Dismiss Notice
Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

Homework Help: Potential-energy function of diatomic molecule

  1. Nov 19, 2009 #1
    Hi there all, I have this problem which I have issues with; theres some stuff I need to do in C and any help would be much appreciated.
    For V(o) = 36 i need to find the ground state energy and normalised ground state function using matrix methods. I am allowed to use Matlab to find the eigenvalues and vectors.
    The matrix method includes numerical techniques where theres finite approximations.
    This picture is a general solution; for this specific problem the potential V(i) = V(x(i)) and lambda is equal to E.
    Through finite approximations using Taylors rule you get the matrix
    Im guessing that the ground state energy is the eigenvalue for when phi(0) = 0 and the other eigenvalue will be when phi(L) = 0. Im guessing that the normalised ground state function would be the eigenvector of this matrix?
    So through the theory of eigenvalue and eigenvectors, deltaxsquared*lambda will be an eigenvalue and the matrix phi(1) phi(2) etc is an eigenvector.
    I effectively need to calculate the eigenvalues and eigenvectors of a symmetrix tridiagonal matrix... basically a Hermitian matrix and I am aware that the process for a Hermitian matrix is a lot simpler than for anti symmetric. NAG routines however are unfamiliar to me (they are meant to be used) I am allowed to use Matlab to calculate the eigenvalues and eigenvectors.
    I also need to write a C program to find the ground state energy and normalised ground state function using the matching method. I am completely unfamiliar with the matching method in C and I am not being given a lot of help. Apparently you have to start with 2 independant solutions, rescale one curve so that they cross and vary E until both curves have the same slope at the crossing point. I am aware however that this is very ambiguous so any help would be very appreciated.
  2. jcsd
Share this great discussion with others via Reddit, Google+, Twitter, or Facebook

Can you offer guidance or do you also need help?
Draft saved Draft deleted