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In Ref. 1 the authors discuss the curvy-extendedLagrangian molecular dynamics curvy-ELMD approach to ab initio molecular dynamics, which is similar to our atomcentered density-matrix propagation ADMP(More)
A generalization is presented here for a newly developed approach to ab initio molecular dynamics, where the density matrix is propagated with Gaussian orbitals. Including a tensorial fictitious mass(More)
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