Login / Signup

Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.

Dennis M. Elking
Published in: J. Comput. Chem. (2016)
Keyphrases
  • external forces
  • optimization algorithm
  • higher order
  • high order
  • control algorithm
  • constrained optimization
  • feature selection
  • simulated annealing