The reproduction of kernel Hilbert space (RKHS) interpolation methods as a paradigm of high dimensional model representation (HDMR) was discussed. HDMR is used for the construction of global potential energy surfaces. It was found that RKHS-HDMR can accurately produce smooth potential energy surfaces over dynamically relevant nonrectangular regions.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry