Ab initio molecular dynamics simulated annealing at the generalized valence bond level. Application to a small nickel cluster
- 1 December 1993
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 216 (3-6) , 324-328
- https://doi.org/10.1016/0009-2614(93)90103-8
Abstract
No abstract availableThis publication has 26 references indexed in Scilit:
- On the formalism of many-electron dynamicsJournal of Physics: Condensed Matter, 1993
- Formalism for molecular-dynamics calculations of many-electron systemsPhysical Review B, 1993
- Structures of small water clusters using gradient-corrected density functional theoryChemical Physics Letters, 1993
- Ab initio molecular dynamics with an orbital-free density functionalJournal of Physics: Condensed Matter, 1993
- Structure and properties of polymers calculated by Ab initio molecular dynamicsSynthetic Metals, 1993
- Self-interaction corrected density functionals and the structure of metal clustersThe Journal of Chemical Physics, 1993
- Orbital formulation for electronic-structure calculations with linear system-size scalingPhysical Review B, 1993
- Large scale electronic structure calculationsPhysical Review Letters, 1992
- Impurity states in doped fullerenes: C59B and C59NChemical Physics Letters, 1992
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985