Southern, E. M. (1975). Detection of specific sequences among DNA 
fragments separated by gel electrophoresis. J mol biol, 98(3), 
503-517.

Abstract
We present ab initio quantum-mechanical molecular-dynamics calculations 
based on the calculation of the electronic ground state and of the 
Hellmann-Feynman forces in the local-density approximation at each 
molecular-dynamics step. This is possible using conjugate-gradient 
techniques for energy minimization, and predicting the wave functions 
for new ionic positions using sub-space alignment. This approach avoids 
the instabilities inherent in quantum-mechanical molecular-dynamics
calculations for metals based on the use of a fictitious Newtonian 
dynamics for the electronic degrees of freedom. This method gives perfect 
control of the adiabaticity and allows us to perform simulations over 
several picoseconds.