Reproducing kernel Hilbert space interpolation methods as a paradigm of high dimensional model representations: Application to multidimensional potential energy surface construction

Tak San Ho, Herschel Rabitz

Research output: Contribution to journalArticle

51 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)6433-6442
Number of pages10
JournalJournal of Chemical Physics
Volume119
Issue number13
DOIs
StatePublished - Oct 1 2003

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Reproducing kernel Hilbert space interpolation methods as a paradigm of high dimensional model representations: Application to multidimensional potential energy surface construction'. Together they form a unique fingerprint.

  • Cite this