References¶
- L. Versluis and T. Ziegler, The determination of Molecular Structure by Density Functional Theory, Journal of Chemical Physics 88, 322 (1988)
- L. Versluis, The determination of molecular structures by the HFS method, PhD thesis, University of Calgary, 1989
- L. Fan and T. Ziegler, Optimization of molecular structures by self consistent and non-local density functional theory, Journal of Chemical Physics 95, 7401 (1991)
- M. Swart and F.M. Bickelhaupt, Optimization of strong and weak coordinates, International Journal of Quantum Chemistry 106, 2536 (2006)
- E. Bitzek, P. Koskinen, F. Gähler, M. Moseler and P. Gumbsch, Structural Relaxation Made Simple, Physical Review Letters 97, 170201 (2006)
External programs and libraries¶
Click here for the list of programs and/or libraries used in the Amsterdam Modeling Suite. On some platforms optimized libraries have been used and/or vendor specific MPI implementations.