Speaker
Mr
Ye Ning
(University of New Brunswick, Physics Department)
Description
We have performed a benchmark calculation of non-relativistic energy level of $\mbox{H}_2^+$, using Hylleraas coordinates containing three non-linear parameters so that three inter-particle radial coordinates $r_{1}$, $r_2$ and $r_{12}$ can be described independently. Rayleigh-Ritz variational principle is used to find out minimum of the expectation value of Hamiltonian of this system. Configuration of base varies according to the total angular momenta $J$ of the system, the bigger $J$ is, the more blocks are needed. To solve the matrix equation, the Power Method is used to identify the ground state as well as some other excited states. The non-relativistic ground state energy of $\mbox{H}_2^+$ has been calculated to a few parts in $10^{34}$, which represents the best energy level reported so far.`enter code here`
Author
Mr
Ye Ning
(University of New Brunswick, Physics Department)
Co-author
Mr
Zong-Chao Yan
(University of New Brunswick, Physics Department)
