H. Bernhard Schlegel

Methods for optimizing large molecules. II. Quadratic search

H. Bernhard Schlegel, Ödön Farkas, H. Schlegel, 1999 .

Methods for optimizing large molecules. Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)

H. Bernhard Schlegel, Ödön Farkas, H. Schlegel, 2002 .

Methods for geometry optimization of large molecules. I. An O(N2) algorithm for solving systems of linear equations for the transformation of coordinates and forces

H. Bernhard Schlegel, Ödön Farkas, H. Schlegel, 1998 .