Schrodinger, Inc.'s electronic structure program, PS-GVB, allows scientists to extend highly accurate quantum mechanical methods to large and complicated systems. The algorithms used in PS-GVB yield the fastest set of electronic structure methods available commercially, including techniques such as HF, MP2, density functional theory, and GVB-RCI, and PS-GVB's graphical user interface makes setting up any calculation straightforward. PS-GVB gas phase or solution calculations of wavefunctions, energies, optimized structures, vibrational frequencies, hyperpolarizability tensors, atomic charges, and many other properties are practical for systems previously studied only with semi-empirical or classical techniques.
Murco Ringnalda
President
Schrodinger, Inc.
80 South Lake Avenue
Suite 735
Pasadena, CA 91101
USA
818-568-9393
818-568-9778 (fax)
murco@psgvb.com
For applications in related solution areas, see the following indices: Computational Chemistry, Molecular Modeling, the developer index for Schrodinger, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
PS-GVB is a Trademark of Schrodinger, Inc.
