Accurate determination of the transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both the initial and final states are specified, such as the climbing ...

The DRIVER module is one of two drivers (also see documentation on STEPPER) to perform a geometry optimization function on the molecule defined by input using the GEOMETRY directive. Geometry ...

Full-waveform inversion (FWI) can provide accurate velocity field for fine imaging in depth domain of seismic data. Its mathematics foundation determines that FWI is a strong nonlinearity with the ...

LCQPow is a open-source solver for Quadratic Programs with Complementarity Constraints. The approach is based on a standard penalty homotopy reformulated using sequential convex programming. The ...

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...

Abstract: In this paper, a Hessian matrix based multi-focus image fusion method is proposed. First, the integral map is introduced for fast compute the Hessian matrix of source images at different ...

1 Laboratory of Organic Compounds Studies (LADECOR), Department of Chemistry, Facultad de Ciencias Exactas, National University of La Plata, La Plata, Argentina. 2 Institute of Physics of Liquids and ...