Spin eigenstate-dependent Hartree—Fock molecular dynamics
Authors:
- Bernd HartkeBHBernd Hartke
- Emily A. CarterECEmily A. Carter
- 1 February 1992
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 189 (4-5) , 358-362
Abstract
No abstract availableThis publication has 45 references indexed in Scilit:
- Born–Oppenheimer dynamics using density-functional theory: Equilibrium and fragmentation of small sodium clustersThe Journal of Chemical Physics, 1991
- The Physics of Metal ClustersPhysics Today, 1990
- Molecular dynamics without effective potentials via the Car-Parrinello approachMolecular Physics, 1990
- Car–Parrinello methodsJournal of the Chemical Society, Faraday Transactions, 1990
- Structure of sulfur clusters using simulated annealing: S2 to S13The Journal of Chemical Physics, 1988
- Optimization of wave function and geometry in the finite basis Hartree-Fock methodThe Journal of Physical Chemistry, 1988
- Physics of metal clustersThe Journal of Physical Chemistry, 1987
- Theoretical aspects of metal atom clustersChemical Reviews, 1986
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Simultaneous Relaxation of Nuclear Geometries and Electric Charge Densities in Electronic Structure TheoriesPhysical Review Letters, 1983